5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide

C13H18N4O — CID 114090404

IUPAC5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide
SMILESNC(=O)c1cc(NC2CC3CCC2C3)ncc1N
InChIInChI=1S/C13H18N4O/c14-10-6-16-12(5-9(10)13(15)18)17-11-4-7-1-2-8(11)3-7/h5-8,11H,1-4,14H2,(H2,15,18)(H,16,17)
InChIKeyKIXZQAZQKXXYIF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.36
Rot. Bonds3

About 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide

5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide (PubChem CID 114090404) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide
PubChem CID114090404
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide
SMILESNC(=O)c1cc(NC2CC3CCC2C3)ncc1N
InChIInChI=1S/C13H18N4O/c14-10-6-16-12(5-9(10)13(15)18)17-11-4-7-1-2-8(11)3-7/h5-8,11H,1-4,14H2,(H2,15,18)(H,16,17)
InChIKeyKIXZQAZQKXXYIF-UHFFFAOYSA-N
XLogP1.36
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(2-methoxycyclopentyl)amino]pyridine-4-carboxamide
CID 114090303
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049
5-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxamide
CID 114090460
5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide
CID 114090149
5-amino-2-[(4-methylcyclohexyl)methylamino]pyridine-4-carboxamide
CID 114090347
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
CID 123851752
6-[(2-hydroxycyclobutyl)amino]-4-[(3-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 167147038
N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
CID 66330992
2-[4-(2-bicyclo[2.2.1]heptanylamino)pyrazol-1-yl]acetamide
CID 61308221
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81232589
N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61364724

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide (CID 114090404) is 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide is NC(=O)c1cc(NC2CC3CCC2C3)ncc1N.
What is the InChIKey of 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide?
The InChIKey is KIXZQAZQKXXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-10-6-16-12(5-9(10)13(15)18)17-11-4-7-1-2-8(11)3-7/h5-8,11H,1-4,14H2,(H2,15,18)(H,16,17).
What are the key properties of 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide?
5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114090404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).