(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide

C18H19ClN4O — CID 11772262

IUPAC(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C18H19ClN4O/c19-10-7-13-11-5-6-21-9-16(11)22-17(13)15(8-10)23-18(24)12-3-1-2-4-14(12)20/h5-9,12,14,22H,1-4,20H2,(H,23,24)/t12-,14?/m1/s1
InChIKeyCLQDUOCCOCSMNY-PUODRLBUSA-N
MW342.83 g/mol
LogP3.83
Rot. Bonds2

About (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide

(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide (PubChem CID 11772262) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide
PubChem CID11772262
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C18H19ClN4O/c19-10-7-13-11-5-6-21-9-16(11)22-17(13)15(8-10)23-18(24)12-3-1-2-4-14(12)20/h5-9,12,14,22H,1-4,20H2,(H,23,24)/t12-,14?/m1/s1
InChIKeyCLQDUOCCOCSMNY-PUODRLBUSA-N
XLogP3.83
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[(2S)-2-aminopropyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 67165200
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 158752682
(3S)-4-[(2S)-2-aminopropyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;hydrochloride
CID 67165873
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide
CID 11605463
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide
CID 21362680
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)thiophene-2-carboxamide
CID 21362693
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
(3S)-4-(2-acetamidopropyl)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 91597504
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(2R)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-3-carboxamide
CID 11642221
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 67165958
(2E,3Z)-2-(aminomethylidene)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)hexa-3,5-dienamide
CID 89003482
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 68916879

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide?
The IUPAC name of (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide (CID 11772262) is (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide is NC1CCCC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide?
The InChIKey is CLQDUOCCOCSMNY-PUODRLBUSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-10-7-13-11-5-6-21-9-16(11)22-17(13)15(8-10)23-18(24)12-3-1-2-4-14(12)20/h5-9,12,14,22H,1-4,20H2,(H,23,24)/t12-,14?/m1/s1.
What are the key properties of (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide?
(1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11772262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).