N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

C23H24N4O2S — CID 133302669

IUPACN-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCN(C(=O)c4cccs4)CC3)nc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-17-5-8-19(9-6-17)25-22(28)18-7-10-21(24-16-18)26-11-3-12-27(14-13-26)23(29)20-4-2-15-30-20/h2,4-10,15-16H,3,11-14H2,1H3,(H,25,28)
InChIKeyMNLKTGATNDYFAN-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.06
Rot. Bonds4

About N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (PubChem CID 133302669) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
PubChem CID133302669
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCN(C(=O)c4cccs4)CC3)nc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-17-5-8-19(9-6-17)25-22(28)18-7-10-21(24-16-18)26-11-3-12-27(14-13-26)23(29)20-4-2-15-30-20/h2,4-10,15-16H,3,11-14H2,1H3,(H,25,28)
InChIKeyMNLKTGATNDYFAN-UHFFFAOYSA-N
XLogP4.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737088
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133453663
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42110651
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
(E)-3-phenyl-N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 46042022

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (CID 133302669) is N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCCN(C(=O)c4cccs4)CC3)nc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The InChIKey is MNLKTGATNDYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-17-5-8-19(9-6-17)25-22(28)18-7-10-21(24-16-18)26-11-3-12-27(14-13-26)23(29)20-4-2-15-30-20/h2,4-10,15-16H,3,11-14H2,1H3,(H,25,28).
What are the key properties of N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133302669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).