2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide

C13H21N5O — CID 63898975

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide
SMILESCN1CCN(C)C(CNc2ncccc2C(N)=O)C1
InChIInChI=1S/C13H21N5O/c1-17-6-7-18(2)10(9-17)8-16-13-11(12(14)19)4-3-5-15-13/h3-5,10H,6-9H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyOMNZQAAADMDTGK-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.16
Rot. Bonds4

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide

2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide (PubChem CID 63898975) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide
PubChem CID63898975
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide
SMILESCN1CCN(C)C(CNc2ncccc2C(N)=O)C1
InChIInChI=1S/C13H21N5O/c1-17-6-7-18(2)10(9-17)8-16-13-11(12(14)19)4-3-5-15-13/h3-5,10H,6-9H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyOMNZQAAADMDTGK-UHFFFAOYSA-N
XLogP-0.16
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 63897320
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509844
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266
[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605493
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]pyridine-3-carboxamide
CID 131890985
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide
CID 113234725
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide (CID 63898975) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide is CN1CCN(C)C(CNc2ncccc2C(N)=O)C1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is OMNZQAAADMDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-6-7-18(2)10(9-17)8-16-13-11(12(14)19)4-3-5-15-13/h3-5,10H,6-9H2,1-2H3,(H2,14,19)(H,15,16).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 63898975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).