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

C28H30N4O2 — CID 44578748

IUPAC2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-18-5-12-24(32-28(34)22-13-14-29-26(15-22)31-23-3-2-4-23)16-25(18)20-8-10-21(11-9-20)27(33)30-17-19-6-7-19/h5,8-16,19,23H,2-4,6-7,17H2,1H3,(H,29,31)(H,30,33)(H,32,34)
InChIKeyGVAOERBBFZOELB-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.41
Rot. Bonds8

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

2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 44578748) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID44578748
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-18-5-12-24(32-28(34)22-13-14-29-26(15-22)31-23-3-2-4-23)16-25(18)20-8-10-21(11-9-20)27(33)30-17-19-6-7-19/h5,8-16,19,23H,2-4,6-7,17H2,1H3,(H,29,31)(H,30,33)(H,32,34)
InChIKeyGVAOERBBFZOELB-UHFFFAOYSA-N
XLogP5.41
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide (CID 44578748) is 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is GVAOERBBFZOELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-18-5-12-24(32-28(34)22-13-14-29-26(15-22)31-23-3-2-4-23)16-25(18)20-8-10-21(11-9-20)27(33)30-17-19-6-7-19/h5,8-16,19,23H,2-4,6-7,17H2,1H3,(H,29,31)(H,30,33)(H,32,34).
What are the key properties of 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 5.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 44578748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).