(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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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).