5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide

C26H37N5O3 — CID 53108494

IUPAC5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCNCC3)c(C(=O)N(CC(C)C)CC(C)C)c2)cc1
InChIInChI=1S/C26H37N5O3/c1-18(2)16-31(17-19(3)4)26(33)23-14-21(15-28-24(23)30-12-10-27-11-13-30)29-25(32)20-6-8-22(34-5)9-7-20/h6-9,14-15,18-19,27H,10-13,16-17H2,1-5H3,(H,29,32)
InChIKeyNEQUXFHSVLWNJO-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.51
Rot. Bonds9

About 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide

5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108494) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108494
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCNCC3)c(C(=O)N(CC(C)C)CC(C)C)c2)cc1
InChIInChI=1S/C26H37N5O3/c1-18(2)16-31(17-19(3)4)26(33)23-14-21(15-28-24(23)30-12-10-27-11-13-30)29-25(32)20-6-8-22(34-5)9-7-20/h6-9,14-15,18-19,27H,10-13,16-17H2,1-5H3,(H,29,32)
InChIKeyNEQUXFHSVLWNJO-UHFFFAOYSA-N
XLogP3.51
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide with MolForge

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Related Compounds

ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 53108497
5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108476
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094147
4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779618
2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094003
N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108226
ethyl 1-[5-[(4-fluorobenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 146062774
5-[(4-methylbenzoyl)amino]-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 83283318
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
5-benzamido-2-[bis(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 53094198
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108494) is 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide is COc1ccc(C(=O)Nc2cnc(N3CCNCC3)c(C(=O)N(CC(C)C)CC(C)C)c2)cc1.
What is the InChIKey of 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is NEQUXFHSVLWNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-18(2)16-31(17-19(3)4)26(33)23-14-21(15-28-24(23)30-12-10-27-11-13-30)29-25(32)20-6-8-22(34-5)9-7-20/h6-9,14-15,18-19,27H,10-13,16-17H2,1-5H3,(H,29,32).
What are the key properties of 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).