2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide

C62H69N19O5 — CID 159041018

IUPAC2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide
SMILESCC(C)(O)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.CC(C)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.CNc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)N.[H]/N=C(\N)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21
InChIInChI=1S/C16H19N5O.C16H18N4O2.C16H18N4O.C14H14N6O/c1-9(17)8-21-13-6-4-3-5-10(13)11-7-12(14(18)22)15(19-2)20-16(11)21;1-16(2,22)8-20-12-6-4-3-5-9(12)10-7-11(14(18)21)13(17)19-15(10)20;1-9(2)8-20-13-6-4-3-5-10(13)11-7-12(15(18)21)14(17)19-16(11)20;15-11(16)6-20-10-4-2-1-3-7(10)8-5-9(13(18)21)12(17)19-14(8)20/h3-7,9H,8,17H2,1-2H3,(H2,18,22)(H,19,20);3-7,22H,8H2,1-2H3,(H2,17,19)(H2,18,21);3-7,9H,8H2,1-2H3,(H2,17,19)(H2,18,21);1-5H,6H2,(H3,15,16)(H2,17,19)(H2,18,21)/t9-;;;/m0.../s1
InChIKeyJWBCHRFSOZAFGT-DXYFNVQQSA-N
MW1160.36 g/mol
LogP6.65
Rot. Bonds13

About 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide

2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide (PubChem CID 159041018) has the molecular formula C62H69N19O5 and a molecular weight of 1160.36 g/mol. Its IUPAC name is 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide
PubChem CID159041018
Molecular FormulaC62H69N19O5
Molecular Weight1160.36 g/mol
Exact Mass1159.57
IUPAC Name2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide
SMILESCC(C)(O)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.CC(C)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.CNc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)N.[H]/N=C(\N)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21
InChIInChI=1S/C16H19N5O.C16H18N4O2.C16H18N4O.C14H14N6O/c1-9(17)8-21-13-6-4-3-5-10(13)11-7-12(14(18)22)15(19-2)20-16(11)21;1-16(2,22)8-20-12-6-4-3-5-9(12)10-7-11(14(18)21)13(17)19-15(10)20;1-9(2)8-20-13-6-4-3-5-10(13)11-7-12(15(18)21)14(17)19-16(11)20;15-11(16)6-20-10-4-2-1-3-7(10)8-5-9(13(18)21)12(17)19-14(8)20/h3-7,9H,8,17H2,1-2H3,(H2,18,22)(H,19,20);3-7,22H,8H2,1-2H3,(H2,17,19)(H2,18,21);3-7,9H,8H2,1-2H3,(H2,17,19)(H2,18,21);1-5H,6H2,(H3,15,16)(H2,17,19)(H2,18,21)/t9-;;;/m0.../s1
InChIKeyJWBCHRFSOZAFGT-DXYFNVQQSA-N
XLogP6.65
TPSA429.85 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001160.36
LogP ≤ 56.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide (CID 159041018) is 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide is CC(C)(O)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.CC(C)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.CNc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)N.[H]/N=C(\N)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.
What is the InChIKey of 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is JWBCHRFSOZAFGT-DXYFNVQQSA-N. The full InChI is InChI=1S/C16H19N5O.C16H18N4O2.C16H18N4O.C14H14N6O/c1-9(17)8-21-13-6-4-3-5-10(13)11-7-12(14(18)22)15(19-2)20-16(11)21;1-16(2,22)8-20-12-6-4-3-5-9(12)10-7-11(14(18)21)13(17)19-15(10)20;1-9(2)8-20-13-6-4-3-5-10(13)11-7-12(15(18)21)14(17)19-16(11)20;15-11(16)6-20-10-4-2-1-3-7(10)8-5-9(13(18)21)12(17)19-14(8)20/h3-7,9H,8,17H2,1-2H3,(H2,18,22)(H,19,20);3-7,22H,8H2,1-2H3,(H2,17,19)(H2,18,21);3-7,9H,8H2,1-2H3,(H2,17,19)(H2,18,21);1-5H,6H2,(H3,15,16)(H2,17,19)(H2,18,21)/t9-;;;/m0.../s1.
What are the key properties of 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide?
2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 1160.36 g/mol, XLogP of 6.65, 13 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 159041018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).