2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide

C23H27N3O2 — CID 126454314

IUPAC2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccc(-c2ncccc2C(=O)N(C)C)c1)C1=CCCCC1
InChIInChI=1S/C23H27N3O2/c1-16(17-9-5-4-6-10-17)25-22(27)19-12-7-11-18(15-19)21-20(13-8-14-24-21)23(28)26(2)3/h7-9,11-16H,4-6,10H2,1-3H3,(H,25,27)/t16-/m1/s1
InChIKeyYUOQORZZLODPOI-MRXNPFEDSA-N
MW377.49 g/mol
LogP4.07
Rot. Bonds5

About 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide

2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 126454314) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID126454314
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccc(-c2ncccc2C(=O)N(C)C)c1)C1=CCCCC1
InChIInChI=1S/C23H27N3O2/c1-16(17-9-5-4-6-10-17)25-22(27)19-12-7-11-18(15-19)21-20(13-8-14-24-21)23(28)26(2)3/h7-9,11-16H,4-6,10H2,1-3H3,(H,25,27)/t16-/m1/s1
InChIKeyYUOQORZZLODPOI-MRXNPFEDSA-N
XLogP4.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
CID 118765933
6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 126439353
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide
CID 125445203
3-(3-hydroxy-2-pyridinyl)-N,N-dimethylbenzamide
CID 53218059
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 122557982
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
CID 53217910
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide
CID 92901391

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide (CID 126454314) is 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide is C[C@@H](NC(=O)c1cccc(-c2ncccc2C(=O)N(C)C)c1)C1=CCCCC1.
What is the InChIKey of 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is YUOQORZZLODPOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(17-9-5-4-6-10-17)25-22(27)19-12-7-11-18(15-19)21-20(13-8-14-24-21)23(28)26(2)3/h7-9,11-16H,4-6,10H2,1-3H3,(H,25,27)/t16-/m1/s1.
What are the key properties of 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide?
2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 126454314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).