N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C13H20N4O — CID 3040781

IUPACN,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C13H20N4O/c1-15(2)13(18)11-5-4-6-14-12(11)17-9-7-16(3)8-10-17/h4-6H,7-10H2,1-3H3
InChIKeyZJHFHNBWYCLQFD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.54
Rot. Bonds2

About N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 3040781) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID3040781
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C13H20N4O/c1-15(2)13(18)11-5-4-6-14-12(11)17-9-7-16(3)8-10-17/h4-6H,7-10H2,1-3H3
InChIKeyZJHFHNBWYCLQFD-UHFFFAOYSA-N
XLogP0.54
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 84576816
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
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814
N,N-dimethyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]pyridine-3-carboxamide
CID 71234270
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181
3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 105381703
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 3040781) is N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ncccc2C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZJHFHNBWYCLQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-15(2)13(18)11-5-4-6-14-12(11)17-9-7-16(3)8-10-17/h4-6H,7-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3040781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).