3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide

C12H13N5O3 — CID 107625756

IUPAC3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ncccc2N)n1
InChIInChI=1S/C12H13N5O3/c1-19-8-6-9(20-2)16-12(15-8)17-11(18)10-7(13)4-3-5-14-10/h3-6H,13H2,1-2H3,(H,15,16,17,18)
InChIKeyJJJOPFWZFUNSEL-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.72
Rot. Bonds4

About 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide

3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide (PubChem CID 107625756) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide
PubChem CID107625756
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)c2ncccc2N)n1
InChIInChI=1S/C12H13N5O3/c1-19-8-6-9(20-2)16-12(15-8)17-11(18)10-7(13)4-3-5-14-10/h3-6H,13H2,1-2H3,(H,15,16,17,18)
InChIKeyJJJOPFWZFUNSEL-UHFFFAOYSA-N
XLogP0.72
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
CID 107632020
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114387665
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
3-amino-N-methoxypyridine-2-carboxamide;O-methylhydroxylamine;hydrochloride
CID 158937226
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624336
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide (CID 107625756) is 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide is COc1cc(OC)nc(NC(=O)c2ncccc2N)n1.
What is the InChIKey of 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide?
The InChIKey is JJJOPFWZFUNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-19-8-6-9(20-2)16-12(15-8)17-11(18)10-7(13)4-3-5-14-10/h3-6H,13H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide?
3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107625756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).