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

C13H21N5O — CID 110475168

IUPAC2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(NC(=O)c2cccnc2N(C)C)CC1
InChIInChI=1S/C13H21N5O/c1-16(2)12-11(5-4-6-14-12)13(19)15-18-9-7-17(3)8-10-18/h4-6H,7-10H2,1-3H3,(H,15,19)
InChIKeyTYPYFWHIXRLJDW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.04
Rot. Bonds3

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

2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 110475168) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID110475168
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(NC(=O)c2cccnc2N(C)C)CC1
InChIInChI=1S/C13H21N5O/c1-16(2)12-11(5-4-6-14-12)13(19)15-18-9-7-17(3)8-10-18/h4-6H,7-10H2,1-3H3,(H,15,19)
InChIKeyTYPYFWHIXRLJDW-UHFFFAOYSA-N
XLogP0.04
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
2-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 53015798
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162
2-formamido-N-(4-methylpiperazin-1-yl)benzamide
CID 168653894
(E)-3-[2-[(4-methylpiperazin-1-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 107526002
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537
2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 110299291

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 110475168) is 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(NC(=O)c2cccnc2N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is TYPYFWHIXRLJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-16(2)12-11(5-4-6-14-12)13(19)15-18-9-7-17(3)8-10-18/h4-6H,7-10H2,1-3H3,(H,15,19).
What are the key properties of 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110475168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).