N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane

C25H34N2O2 — CID 142339257

IUPACN-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane
SMILESC=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C)cc1C.CC.CC
InChIInChI=1S/C21H22N2O2.2C2H6/c1-4-16-10-17(12-24)19(9-13(16)2)18-7-8-20(23-14(18)3)21(25)22-11-15-5-6-15;2*1-2/h4,7-10,12,15H,1,5-6,11H2,2-3H3,(H,22,25);2*1-2H3
InChIKeyVWNUOYWVEAYQMY-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.01
Rot. Bonds6

About N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane

N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane (PubChem CID 142339257) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane
PubChem CID142339257
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane
SMILESC=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C)cc1C.CC.CC
InChIInChI=1S/C21H22N2O2.2C2H6/c1-4-16-10-17(12-24)19(9-13(16)2)18-7-8-20(23-14(18)3)21(25)22-11-15-5-6-15;2*1-2/h4,7-10,12,15H,1,5-6,11H2,2-3H3,(H,22,25);2*1-2H3
InChIKeyVWNUOYWVEAYQMY-UHFFFAOYSA-N
XLogP6.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yloxycarbonyloxyethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate
CID 142339439
methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-5-methoxy-2-methylphenyl)pyridine-2-carboxylate
CID 167243253
[(2S,3S)-2,3-dimethylpentanoyl]oxymethyl 6-(cyclopropylmethylcarbamoyl)-3-[4-ethenyl-2-formyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxylate
CID 159195658
[(3S)-3-methylpentanoyl]oxymethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate
CID 142339386
2-methoxyethoxymethyl 2-[6-(cyclopropylmethylcarbamoyl)-2-methyl-3-pyridinyl]-5-hydroxy-4-methylbenzoate
CID 130433587
2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxyethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-formyl-5-methoxyphenyl)pyridine-2-carboxylate
CID 142339591
2-[6-(cyclopropylmethylcarbamoyl)-2-(1-hydroxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid
CID 156546566
1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-[4-ethenyl-5-methyl-2-[2-[4-[N-[1-(2-methylpropanoyloxy)ethoxycarbonyl]carbamimidoyl]phenyl]acetyl]phenyl]pyridine-2-carboxylate
CID 160813349
2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;ethane
CID 142339401
1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-[4-ethenyl-2-[2-[4-(N'-ethylsulfanylcarbonylcarbamimidoyl)phenyl]acetyl]-5-methylphenyl]pyridine-2-carboxylate
CID 161203174
1-(2-methylpropanoyloxy)ethyl 3-[2-[2-[4-[N'-(acetyloxymethoxycarbonyl)carbamimidoyl]phenyl]acetyl]-4-ethenyl-5-methylphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate
CID 159868992
1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-[4-ethenyl-2-[2-[4-[N'-[1-[2-(2-methoxyethoxy)acetyl]oxyethoxycarbonyl]carbamimidoyl]phenyl]acetyl]-5-methylphenyl]pyridine-2-carboxylate
CID 159377347

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane?
The IUPAC name of N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane (CID 142339257) is N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane?
The canonical SMILES for N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane is C=Cc1cc(C=O)c(-c2ccc(C(=O)NCC3CC3)nc2C)cc1C.CC.CC.
What is the InChIKey of N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane?
The InChIKey is VWNUOYWVEAYQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.2C2H6/c1-4-16-10-17(12-24)19(9-13(16)2)18-7-8-20(23-14(18)3)21(25)22-11-15-5-6-15;2*1-2/h4,7-10,12,15H,1,5-6,11H2,2-3H3,(H,22,25);2*1-2H3.
What are the key properties of N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane?
N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane has a molecular weight of 394.56 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(4-ethenyl-2-formyl-5-methylphenyl)-6-methylpyridine-2-carboxamide;ethane is sourced from PubChem (CID 142339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).