2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide

C27H30N4O3 — CID 55846478

IUPAC2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1
InChIInChI=1S/C27H30N4O3/c1-19-13-15-31(16-14-19)25-12-7-20(17-28-25)18-29-27(33)23-5-3-4-6-24(23)30-26(32)21-8-10-22(34-2)11-9-21/h3-12,17,19H,13-16,18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyJWEKQVZCEGDONA-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.51
Rot. Bonds7

About 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 55846478) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID55846478
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1
InChIInChI=1S/C27H30N4O3/c1-19-13-15-31(16-14-19)25-12-7-20(17-28-25)18-29-27(33)23-5-3-4-6-24(23)30-26(32)21-8-10-22(34-2)11-9-21/h3-12,17,19H,13-16,18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyJWEKQVZCEGDONA-UHFFFAOYSA-N
XLogP4.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540241
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342162
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
CID 30659242
6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109152560
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide (CID 55846478) is 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is JWEKQVZCEGDONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19-13-15-31(16-14-19)25-12-7-20(17-28-25)18-29-27(33)23-5-3-4-6-24(23)30-26(32)21-8-10-22(34-2)11-9-21/h3-12,17,19H,13-16,18H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide?
2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).