N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide

C27H30N2O3 — CID 45376808

IUPACN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2ccncc2-c2cccc(C)c2)cc1OC
InChIInChI=1S/C27H30N2O3/c1-19-5-4-6-22(15-19)24-17-28-13-11-23(24)27(30)29(18-21-7-8-21)14-12-20-9-10-25(31-2)26(16-20)32-3/h4-6,9-11,13,15-17,21H,7-8,12,14,18H2,1-3H3
InChIKeyMKYKRUYJKKSIBY-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.17
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide (PubChem CID 45376808) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide
PubChem CID45376808
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2ccncc2-c2cccc(C)c2)cc1OC
InChIInChI=1S/C27H30N2O3/c1-19-5-4-6-22(15-19)24-17-28-13-11-23(24)27(30)29(18-21-7-8-21)14-12-20-9-10-25(31-2)26(16-20)32-3/h4-6,9-11,13,15-17,21H,7-8,12,14,18H2,1-3H3
InChIKeyMKYKRUYJKKSIBY-UHFFFAOYSA-N
XLogP5.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 67393914
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45376806
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4080886
2-amino-N-(cyclopropylmethyl)-5-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 87317957
2-amino-N-(cyclopropylmethyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87317802
3-[2-(3,4-dimethoxyphenyl)ethyl-[2-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]benzoyl]amino]propanoic acid
CID 69427764
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
CID 85054999
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 5039167
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394715
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 42695524
3-(3,4-dimethoxyphenyl)-1-[(3S)-3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 42238811

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide (CID 45376808) is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide is COc1ccc(CCN(CC2CC2)C(=O)c2ccncc2-c2cccc(C)c2)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide?
The InChIKey is MKYKRUYJKKSIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-19-5-4-6-22(15-19)24-17-28-13-11-23(24)27(30)29(18-21-7-8-21)14-12-20-9-10-25(31-2)26(16-20)32-3/h4-6,9-11,13,15-17,21H,7-8,12,14,18H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide?
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 45376808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).