6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide

C31H40N6O2 — CID 170634753

IUPAC6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide
SMILESCCC/C(=C\c1cc(C(=O)Nc2cc(C(=O)NCCN3CCCCC3)ccc2C)cnc1C)c1cnn(C)c1
InChIInChI=1S/C31H40N6O2/c1-5-9-24(28-20-34-36(4)21-28)16-26-17-27(19-33-23(26)3)31(39)35-29-18-25(11-10-22(29)2)30(38)32-12-15-37-13-7-6-8-14-37/h10-11,16-21H,5-9,12-15H2,1-4H3,(H,32,38)(H,35,39)/b24-16+
InChIKeyASCJGXCULYQIRO-LFVJCYFKSA-N
MW528.70 g/mol
LogP5.24
Rot. Bonds10

About 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide

6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide (PubChem CID 170634753) has the molecular formula C31H40N6O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide
PubChem CID170634753
Molecular FormulaC31H40N6O2
Molecular Weight528.70 g/mol
Exact Mass528.32
IUPAC Name6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide
SMILESCCC/C(=C\c1cc(C(=O)Nc2cc(C(=O)NCCN3CCCCC3)ccc2C)cnc1C)c1cnn(C)c1
InChIInChI=1S/C31H40N6O2/c1-5-9-24(28-20-34-36(4)21-28)16-26-17-27(19-33-23(26)3)31(39)35-29-18-25(11-10-22(29)2)30(38)32-12-15-37-13-7-6-8-14-37/h10-11,16-21H,5-9,12-15H2,1-4H3,(H,32,38)(H,35,39)/b24-16+
InChIKeyASCJGXCULYQIRO-LFVJCYFKSA-N
XLogP5.24
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-methyl-5-[(E)-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carboxamide
CID 170634682
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
N-[5-[[2-(2,2-dimethylmorpholin-4-yl)acetyl]amino]-2-fluoro-3-pyridinyl]-6-methyl-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide
CID 170634820
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
6-methyl-5-[[6-methyl-5-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
CID 170635142
2-bromo-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548202
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N-[5-[2-(azepan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547198
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
N-(5-cyano-2-methylphenyl)-1-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 146131887
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide (CID 170634753) is 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide is CCC/C(=C\c1cc(C(=O)Nc2cc(C(=O)NCCN3CCCCC3)ccc2C)cnc1C)c1cnn(C)c1.
What is the InChIKey of 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide?
The InChIKey is ASCJGXCULYQIRO-LFVJCYFKSA-N. The full InChI is InChI=1S/C31H40N6O2/c1-5-9-24(28-20-34-36(4)21-28)16-26-17-27(19-33-23(26)3)31(39)35-29-18-25(11-10-22(29)2)30(38)32-12-15-37-13-7-6-8-14-37/h10-11,16-21H,5-9,12-15H2,1-4H3,(H,32,38)(H,35,39)/b24-16+.
What are the key properties of 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide?
6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide has a molecular weight of 528.70 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-methyl-5-(2-piperidin-1-ylethylcarbamoyl)phenyl]-5-[(E)-2-(1-methylpyrazol-4-yl)pent-1-enyl]pyridine-3-carboxamide is sourced from PubChem (CID 170634753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).