N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide

C22H25N3O2 — CID 109081387

IUPACN-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H25N3O2/c26-21(24-19-8-2-1-3-9-19)17-10-12-23-20(14-17)22(27)25-13-11-16-6-4-5-7-18(16)15-25/h4-7,10,12,14,19H,1-3,8-9,11,13,15H2,(H,24,26)
InChIKeyNTAIWSDASQAPBD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.34
Rot. Bonds3

About N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide

N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide (PubChem CID 109081387) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
PubChem CID109081387
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H25N3O2/c26-21(24-19-8-2-1-3-9-19)17-10-12-23-20(14-17)22(27)25-13-11-16-6-4-5-7-18(16)15-25/h4-7,10,12,14,19H,1-3,8-9,11,13,15H2,(H,24,26)
InChIKeyNTAIWSDASQAPBD-UHFFFAOYSA-N
XLogP3.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
CID 109081367
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide
CID 109078832
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109087925
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109085025
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213775

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide (CID 109081387) is N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide is O=C(NC1CCCCC1)c1ccnc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide?
The InChIKey is NTAIWSDASQAPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(24-19-8-2-1-3-9-19)17-10-12-23-20(14-17)22(27)25-13-11-16-6-4-5-7-18(16)15-25/h4-7,10,12,14,19H,1-3,8-9,11,13,15H2,(H,24,26).
What are the key properties of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide?
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).