N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide

C30H34N4O2 — CID 44578710

IUPACN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-20-12-15-34(16-13-20)28-17-25(11-14-31-28)30(36)33-26-10-3-21(2)27(18-26)23-6-8-24(9-7-23)29(35)32-19-22-4-5-22/h3,6-11,14,17-18,20,22H,4-5,12-13,15-16,19H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyZGDJQLUCSCOGOA-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.69
Rot. Bonds7

About N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide

N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 44578710) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID44578710
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-20-12-15-34(16-13-20)28-17-25(11-14-31-28)30(36)33-26-10-3-21(2)27(18-26)23-6-8-24(9-7-23)29(35)32-19-22-4-5-22/h3,6-11,14,17-18,20,22H,4-5,12-13,15-16,19H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyZGDJQLUCSCOGOA-UHFFFAOYSA-N
XLogP5.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57748689
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CID 16118323
Aminopyrimidine amide, 13d
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N-{4'-[(Cyclopropylmethyl)carbamoyl]-6-Methylbiphenyl-3-Yl}-2-Morpholin-4-Ylpyridine-4-Carboxamide
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CID 57340687
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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide (CID 44578710) is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is ZGDJQLUCSCOGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-20-12-15-34(16-13-20)28-17-25(11-14-31-28)30(36)33-26-10-3-21(2)27(18-26)23-6-8-24(9-7-23)29(35)32-19-22-4-5-22/h3,6-11,14,17-18,20,22H,4-5,12-13,15-16,19H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 44578710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).