7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide

C20H19N5O2 — CID 175871047

IUPAC7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide
SMILESN#Cc1ccc2c(c1)[nH]c1cc(NC3CC3)c(C(=O)NC3CC(O)C3)nc12
InChIInChI=1S/C20H19N5O2/c21-9-10-1-4-14-15(5-10)24-16-8-17(22-11-2-3-11)19(25-18(14)16)20(27)23-12-6-13(26)7-12/h1,4-5,8,11-13,22,24,26H,2-3,6-7H2,(H,23,27)
InChIKeyISIGZCXAHFSSKB-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.42
Rot. Bonds4

About 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide

7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide (PubChem CID 175871047) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound Name7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide
PubChem CID175871047
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide
SMILESN#Cc1ccc2c(c1)[nH]c1cc(NC3CC3)c(C(=O)NC3CC(O)C3)nc12
InChIInChI=1S/C20H19N5O2/c21-9-10-1-4-14-15(5-10)24-16-8-17(22-11-2-3-11)19(25-18(14)16)20(27)23-12-6-13(26)7-12/h1,4-5,8,11-13,22,24,26H,2-3,6-7H2,(H,23,27)
InChIKeyISIGZCXAHFSSKB-UHFFFAOYSA-N
XLogP2.42
TPSA113.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide with MolForge

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Related Compounds

N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 175871048
7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166707759
3-bromo-4-[(3-hydroxycyclobutyl)amino]benzonitrile
CID 82798190
3-amino-4-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 18509705
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
CID 60929293
4-[(4-hydroxycyclohexyl)amino]-3-nitrobenzonitrile
CID 16796279
3-amino-4-(cyclopropylamino)benzonitrile
CID 43517994
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
2-(2-chloro-4-cyanoanilino)cyclobutane-1-carboxylic acid
CID 107808920
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
CID 78916011
4-(cyclopropylamino)-3-nitrobenzonitrile
CID 5215354

Frequently Asked Questions

What is the IUPAC name of 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide?
The IUPAC name of 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide (CID 175871047) is 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide.
What is the SMILES notation for 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide?
The canonical SMILES for 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide is N#Cc1ccc2c(c1)[nH]c1cc(NC3CC3)c(C(=O)NC3CC(O)C3)nc12.
What is the InChIKey of 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide?
The InChIKey is ISIGZCXAHFSSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-9-10-1-4-14-15(5-10)24-16-8-17(22-11-2-3-11)19(25-18(14)16)20(27)23-12-6-13(26)7-12/h1,4-5,8,11-13,22,24,26H,2-3,6-7H2,(H,23,27).
What are the key properties of 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide?
7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 175871047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).