2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide

C28H30N4O2 — CID 44578746

IUPAC2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCC3CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-18-2-11-24(32-28(34)23-12-13-29-26(14-23)30-16-19-3-4-19)15-25(18)21-7-9-22(10-8-21)27(33)31-17-20-5-6-20/h2,7-15,19-20H,3-6,16-17H2,1H3,(H,29,30)(H,31,33)(H,32,34)
InChIKeyFZXJMIHXHODXER-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.27
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide

2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 44578746) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID44578746
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCC3CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-18-2-11-24(32-28(34)23-12-13-29-26(14-23)30-16-19-3-4-19)15-25(18)21-7-9-22(10-8-21)27(33)31-17-20-5-6-20/h2,7-15,19-20H,3-6,16-17H2,1H3,(H,29,30)(H,31,33)(H,32,34)
InChIKeyFZXJMIHXHODXER-UHFFFAOYSA-N
XLogP5.27
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide (CID 44578746) is 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCC3CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is FZXJMIHXHODXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-18-2-11-24(32-28(34)23-12-13-29-26(14-23)30-16-19-3-4-19)15-25(18)21-7-9-22(10-8-21)27(33)31-17-20-5-6-20/h2,7-15,19-20H,3-6,16-17H2,1H3,(H,29,30)(H,31,33)(H,32,34).
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 5.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 44578746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).