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

C13H21N5O — CID 114195011

IUPAC2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide
SMILESCN1CCC(CNc2cnc(N)cc2C(N)=O)CC1
InChIInChI=1S/C13H21N5O/c1-18-4-2-9(3-5-18)7-16-11-8-17-12(14)6-10(11)13(15)19/h6,8-9,16H,2-5,7H2,1H3,(H2,14,17)(H2,15,19)
InChIKeyGZPMSVHCCOECAB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.52
Rot. Bonds4

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

2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide (PubChem CID 114195011) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide
PubChem CID114195011
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide
SMILESCN1CCC(CNc2cnc(N)cc2C(N)=O)CC1
InChIInChI=1S/C13H21N5O/c1-18-4-2-9(3-5-18)7-16-11-8-17-12(14)6-10(11)13(15)19/h6,8-9,16H,2-5,7H2,1H3,(H2,14,17)(H2,15,19)
InChIKeyGZPMSVHCCOECAB-UHFFFAOYSA-N
XLogP0.52
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114194871
2-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carboxamide
CID 114195265
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 114516569
2-amino-5-[(4-methylcyclohexyl)amino]pyridine-4-carboxamide
CID 114194775
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridine-4-carboxamide
CID 114195291
4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237182
ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate
CID 114195202
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114194642
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655467
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide (CID 114195011) is 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide is CN1CCC(CNc2cnc(N)cc2C(N)=O)CC1.
What is the InChIKey of 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide?
The InChIKey is GZPMSVHCCOECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-18-4-2-9(3-5-18)7-16-11-8-17-12(14)6-10(11)13(15)19/h6,8-9,16H,2-5,7H2,1H3,(H2,14,17)(H2,15,19).
What are the key properties of 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide?
2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 114195011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).