N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide

C29H32N4O2 — CID 44578709

IUPACN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
InChIKeyMDEAKINSCUXXNF-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.44
Rot. Bonds7

About N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide

N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 44578709) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide
PubChem CID44578709
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
InChIKeyMDEAKINSCUXXNF-UHFFFAOYSA-N
XLogP5.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide (CID 44578709) is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is MDEAKINSCUXXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide?
N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.44, 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-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 44578709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).