5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide

C26H30N4O2 — CID 23728841

IUPAC5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)cc3)nc2)c1
InChIInChI=1S/C26H30N4O2/c1-19-17-30(14-13-27-19)18-20-7-10-23(11-8-20)29(2)26(31)25-12-9-22(16-28-25)21-5-4-6-24(15-21)32-3/h4-12,15-16,19,27H,13-14,17-18H2,1-3H3/t19-/m0/s1
InChIKeyOYTPGCLNCDKBGA-IBGZPJMESA-N
MW430.55 g/mol
LogP3.83
Rot. Bonds6

About 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide

5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 23728841) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide
PubChem CID23728841
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)cc3)nc2)c1
InChIInChI=1S/C26H30N4O2/c1-19-17-30(14-13-27-19)18-20-7-10-23(11-8-20)29(2)26(31)25-12-9-22(16-28-25)21-5-4-6-24(15-21)32-3/h4-12,15-16,19,27H,13-14,17-18H2,1-3H3/t19-/m0/s1
InChIKeyOYTPGCLNCDKBGA-IBGZPJMESA-N
XLogP3.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
N-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrazine-2-carboxamide
CID 10216436
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
CID 71522495
6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide
CID 71667377

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide (CID 23728841) is 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide is COc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)cc3)nc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is OYTPGCLNCDKBGA-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-17-30(14-13-27-19)18-20-7-10-23(11-8-20)29(2)26(31)25-12-9-22(16-28-25)21-5-4-6-24(15-21)32-3/h4-12,15-16,19,27H,13-14,17-18H2,1-3H3/t19-/m0/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 23728841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).