N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

C24H26N4O2 — CID 53180638

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-20-11-9-18(10-12-20)16-27-24(29)21-8-5-13-26-23(21)28-15-14-25-22(17-28)19-6-3-2-4-7-19/h2-13,22,25H,14-17H2,1H3,(H,27,29)
InChIKeySXLNJMYMTYQDTC-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 53180638) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID53180638
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-20-11-9-18(10-12-20)16-27-24(29)21-8-5-13-26-23(21)28-15-14-25-22(17-28)19-6-3-2-4-7-19/h2-13,22,25H,14-17H2,1H3,(H,27,29)
InChIKeySXLNJMYMTYQDTC-UHFFFAOYSA-N
XLogP3.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 95104807
N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104876
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104870
N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084391
N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 46084660
[(2S)-1-[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazin-1-yl]-1-oxopropan-2-yl] acetate
CID 46084330
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
ethyl 4-[[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]butanoate
CID 46084667
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 53180638) is N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cccnc2N2CCNC(c3ccccc3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is SXLNJMYMTYQDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-20-11-9-18(10-12-20)16-27-24(29)21-8-5-13-26-23(21)28-15-14-25-22(17-28)19-6-3-2-4-7-19/h2-13,22,25H,14-17H2,1H3,(H,27,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53180638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).