9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C18H19ClN4O — CID 56594659

IUPAC9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cccc(Cl)c12
InChIInChI=1S/C18H19ClN4O/c19-12-7-4-8-13-14(12)15-16(23-13)11(17(20)24)9-21-18(15)22-10-5-2-1-3-6-10/h4,7-10,23H,1-3,5-6H2,(H2,20,24)(H,21,22)
InChIKeyVYMXTTQKWUVBCN-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.21
Rot. Bonds3

About 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 56594659) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID56594659
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cccc(Cl)c12
InChIInChI=1S/C18H19ClN4O/c19-12-7-4-8-13-14(12)15-16(23-13)11(17(20)24)9-21-18(15)22-10-5-2-1-3-6-10/h4,7-10,23H,1-3,5-6H2,(H2,20,24)(H,21,22)
InChIKeyVYMXTTQKWUVBCN-UHFFFAOYSA-N
XLogP4.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Thz1
CID 73602827
Thz531
CID 118025540
7-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-(1h-Indol-7-Ylamino)pyrido[4,3-D]pyrimidin-4(3h)-One
CID 135566923
N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
CID 11465956
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)butanoylamino]benzamide
CID 119081415
7-(2-Aminopyrimidin-5-yl)-1-{[(1r)-1-cyclopropyl-2,2,2-trifluoroethyl]amino}-5h-pyrido[4,3-b]indole-4-carboxamide
CID 42622934
7-(2-Aminopyrimidin-5-yl)-1-[(dicyclopropylmethyl)amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635901
5-chloro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 71655831
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 72737634

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 56594659) is 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cccc(Cl)c12.
What is the InChIKey of 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is VYMXTTQKWUVBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-12-7-4-8-13-14(12)15-16(23-13)11(17(20)24)9-21-18(15)22-10-5-2-1-3-6-10/h4,7-10,23H,1-3,5-6H2,(H2,20,24)(H,21,22).
What are the key properties of 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 56594659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).