N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide

C21H24N2O2 — CID 77404867

IUPACN-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1cccc(C=CC(=O)N(c2ccccn2)C2CCCCC2)c1
InChIInChI=1S/C21H24N2O2/c1-25-19-11-7-8-17(16-19)13-14-21(24)23(18-9-3-2-4-10-18)20-12-5-6-15-22-20/h5-8,11-16,18H,2-4,9-10H2,1H3
InChIKeyFCKVOCLQJCEMGS-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.47
Rot. Bonds5

About N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide

N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 77404867) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID77404867
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1cccc(C=CC(=O)N(c2ccccn2)C2CCCCC2)c1
InChIInChI=1S/C21H24N2O2/c1-25-19-11-7-8-17(16-19)13-14-21(24)23(18-9-3-2-4-10-18)20-12-5-6-15-22-20/h5-8,11-16,18H,2-4,9-10H2,1H3
InChIKeyFCKVOCLQJCEMGS-UHFFFAOYSA-N
XLogP4.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
CID 800217
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
CID 154932235
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 6600273
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 42963879
N-[2-(3-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 91318713
(E)-1-(3-hydroxyazetidin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 55178588

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide (CID 77404867) is N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide is COc1cccc(C=CC(=O)N(c2ccccn2)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is FCKVOCLQJCEMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-19-11-7-8-17(16-19)13-14-21(24)23(18-9-3-2-4-10-18)20-12-5-6-15-22-20/h5-8,11-16,18H,2-4,9-10H2,1H3.
What are the key properties of N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 77404867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).