5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide

C12H19N5O — CID 114090149

IUPAC5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide
SMILESCN1CCCC(Nc2cc(C(N)=O)c(N)cn2)C1
InChIInChI=1S/C12H19N5O/c1-17-4-2-3-8(7-17)16-11-5-9(12(14)18)10(13)6-15-11/h5-6,8H,2-4,7,13H2,1H3,(H2,14,18)(H,15,16)
InChIKeyWKVUPXUMZVFMFQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.27
Rot. Bonds3

About 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide

5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide (PubChem CID 114090149) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide
PubChem CID114090149
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide
SMILESCN1CCCC(Nc2cc(C(N)=O)c(N)cn2)C1
InChIInChI=1S/C12H19N5O/c1-17-4-2-3-8(7-17)16-11-5-9(12(14)18)10(13)6-15-11/h5-6,8H,2-4,7,13H2,1H3,(H2,14,18)(H,15,16)
InChIKeyWKVUPXUMZVFMFQ-UHFFFAOYSA-N
XLogP0.27
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxamide
CID 114090460
5-methyl-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,4-diamine
CID 83266421
5-amino-2-[(2-methoxycyclopentyl)amino]pyridine-4-carboxamide
CID 114090303
2-amino-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 104500309
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
5-amino-2-[(4-methylcyclohexyl)methylamino]pyridine-4-carboxamide
CID 114090347
5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide
CID 114090404
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
CID 103378455
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide (CID 114090149) is 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide is CN1CCCC(Nc2cc(C(N)=O)c(N)cn2)C1.
What is the InChIKey of 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide?
The InChIKey is WKVUPXUMZVFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-17-4-2-3-8(7-17)16-11-5-9(12(14)18)10(13)6-15-11/h5-6,8H,2-4,7,13H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide?
5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 114090149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).