N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide

C18H22N4O — CID 84576816

IUPACN-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c1-20-11-13-22(14-12-20)17-16(9-6-10-19-17)18(23)21(2)15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3
InChIKeySEOMUYBZQZTKIC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.11
Rot. Bonds3

About N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide

N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide (PubChem CID 84576816) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
PubChem CID84576816
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c1-20-11-13-22(14-12-20)17-16(9-6-10-19-17)18(23)21(2)15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3
InChIKeySEOMUYBZQZTKIC-UHFFFAOYSA-N
XLogP2.11
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 105381703
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642
2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 84576829
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide (CID 84576816) is N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide is CN1CCN(c2ncccc2C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
The InChIKey is SEOMUYBZQZTKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-20-11-13-22(14-12-20)17-16(9-6-10-19-17)18(23)21(2)15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 84576816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).