N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide

C20H23N3O2 — CID 175209394

IUPACN-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-14-4-8-17(9-5-14)22-19(24)15-6-10-18(11-7-15)23-20(25)16-3-2-12-21-13-16/h2-3,6-7,10-14,17H,4-5,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyYVESTVWBFRNNRO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.64
Rot. Bonds4

About N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 175209394) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID175209394
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-14-4-8-17(9-5-14)22-19(24)15-6-10-18(11-7-15)23-20(25)16-3-2-12-21-13-16/h2-3,6-7,10-14,17H,4-5,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyYVESTVWBFRNNRO-UHFFFAOYSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
N-[4-(cyclopropylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51300111
N-[4-(imidazole-1-carbonylamino)cyclohexyl]pyridine-3-carboxamide
CID 70020378
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 175209394) is N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide is CC1CCC(NC(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is YVESTVWBFRNNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-4-8-17(9-5-14)22-19(24)15-6-10-18(11-7-15)23-20(25)16-3-2-12-21-13-16/h2-3,6-7,10-14,17H,4-5,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175209394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).