N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide

C19H25N3O — CID 113089986

IUPACN-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
SMILESCn1c2c(c3ccccc31)CCN(C(=O)NC1CCCCC1)C2
InChIInChI=1S/C19H25N3O/c1-21-17-10-6-5-9-15(17)16-11-12-22(13-18(16)21)19(23)20-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,20,23)
InChIKeyIYDYPTPHMMKVKD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.58
Rot. Bonds1

About N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide

N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide (PubChem CID 113089986) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
PubChem CID113089986
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
SMILESCn1c2c(c3ccccc31)CCN(C(=O)NC1CCCCC1)C2
InChIInChI=1S/C19H25N3O/c1-21-17-10-6-5-9-15(17)16-11-12-22(13-18(16)21)19(23)20-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,20,23)
InChIKeyIYDYPTPHMMKVKD-UHFFFAOYSA-N
XLogP3.58
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
CID 113089930
(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
CID 6539922
2-(4-chlorophenoxy)-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
CID 113089964
N-cyclopentyl-3-oxopyrrolidine-1-carboxamide
CID 130826752
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 110667981
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695045
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
CID 113096632
N-cyclohexyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 114500022
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide (CID 113089986) is N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide is Cn1c2c(c3ccccc31)CCN(C(=O)NC1CCCCC1)C2.
What is the InChIKey of N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
The InChIKey is IYDYPTPHMMKVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21-17-10-6-5-9-15(17)16-11-12-22(13-18(16)21)19(23)20-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 113089986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).