5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide

C12H11ClN4O — CID 62172922

IUPAC5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2cccnc2)cc1Cl
InChIInChI=1S/C12H11ClN4O/c1-14-11-10(13)5-8(6-16-11)12(18)17-9-3-2-4-15-7-9/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyMFHFOSASRDMUSU-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.42
Rot. Bonds3

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

5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 62172922) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID62172922
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCNc1ncc(C(=O)Nc2cccnc2)cc1Cl
InChIInChI=1S/C12H11ClN4O/c1-14-11-10(13)5-8(6-16-11)12(18)17-9-3-2-4-15-7-9/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyMFHFOSASRDMUSU-UHFFFAOYSA-N
XLogP2.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62172945
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172629
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-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440
5-chloro-N-(4-chloro-3-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62176655
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62909137
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide (CID 62172922) is 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide is CNc1ncc(C(=O)Nc2cccnc2)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is MFHFOSASRDMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-14-11-10(13)5-8(6-16-11)12(18)17-9-3-2-4-15-7-9/h2-7H,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 62172922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).