5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide

C11H10ClN5O — CID 62172629

IUPAC5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C11H10ClN5O/c1-13-9-8(12)5-7(6-16-9)10(18)17-11-14-3-2-4-15-11/h2-6H,1H3,(H,13,16)(H,14,15,17,18)
InChIKeySFJZYZQYRZAICI-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.82
Rot. Bonds3

About 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide

5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide (PubChem CID 62172629) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
PubChem CID62172629
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C11H10ClN5O/c1-13-9-8(12)5-7(6-16-9)10(18)17-11-14-3-2-4-15-11/h2-6H,1H3,(H,13,16)(H,14,15,17,18)
InChIKeySFJZYZQYRZAICI-UHFFFAOYSA-N
XLogP1.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 62172922
5-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62172945
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
5-chloro-N-(4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166490
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
N-(4-bromo-2,6-dimethylphenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62185392
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62909137
5-chloro-N-(4-chloro-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62176655
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide (CID 62172629) is 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide is CNc1ncc(C(=O)Nc2ncccn2)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
The InChIKey is SFJZYZQYRZAICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-13-9-8(12)5-7(6-16-9)10(18)17-11-14-3-2-4-15-11/h2-6H,1H3,(H,13,16)(H,14,15,17,18).
What are the key properties of 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide has a molecular weight of 263.69 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62172629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).