2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide

C16H21N5O2 — CID 143530149

IUPAC2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide
SMILESCN1c2c(c3ccccc3n2C[C@@H](N)CO)C=C(C(N)=O)C1N
InChIInChI=1S/C16H21N5O2/c1-20-14(18)12(15(19)23)6-11-10-4-2-3-5-13(10)21(16(11)20)7-9(17)8-22/h2-6,9,14,22H,7-8,17-18H2,1H3,(H2,19,23)/t9-,14?/m1/s1
InChIKeyAKYSYTRTALMJLG-UCWRFOARSA-N
MW315.38 g/mol
LogP-0.44
Rot. Bonds4

About 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide

2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide (PubChem CID 143530149) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide
PubChem CID143530149
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide
SMILESCN1c2c(c3ccccc3n2C[C@@H](N)CO)C=C(C(N)=O)C1N
InChIInChI=1S/C16H21N5O2/c1-20-14(18)12(15(19)23)6-11-10-4-2-3-5-13(10)21(16(11)20)7-9(17)8-22/h2-6,9,14,22H,7-8,17-18H2,1H3,(H2,19,23)/t9-,14?/m1/s1
InChIKeyAKYSYTRTALMJLG-UCWRFOARSA-N
XLogP-0.44
TPSA123.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide with MolForge

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Related Compounds

2-amino-3-carbazol-9-ylpropan-1-ol
CID 64810076
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
1-carbazol-9-ylpropan-2-amine
CID 21430322
1-methyl-3-(2-methylpropyl)indole-2-carboxamide
CID 173435951
2-amino-3-(9-oxoacridin-10-yl)propanoic acid
CID 65443403
2-amino-9-cyclopentyl-1,2-dihydropyrido[2,3-b]indole-3-carboxamide
CID 143530163
1-(cyanomethyl)-3-(3-hydroxypropyl)indole-2-carboxamide
CID 173160686
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
10-(2-methylpropyl)acridin-9-one
CID 59742563
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
CID 6710542

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide (CID 143530149) is 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide is CN1c2c(c3ccccc3n2C[C@@H](N)CO)C=C(C(N)=O)C1N.
What is the InChIKey of 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is AKYSYTRTALMJLG-UCWRFOARSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-14(18)12(15(19)23)6-11-10-4-2-3-5-13(10)21(16(11)20)7-9(17)8-22/h2-6,9,14,22H,7-8,17-18H2,1H3,(H2,19,23)/t9-,14?/m1/s1.
What are the key properties of 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide?
2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R)-2-amino-3-hydroxypropyl]-1-methyl-2H-pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 143530149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).