N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide

C12H11ClN4O — CID 66462789

IUPACN-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1Cl)c1ccncc1N
InChIInChI=1S/C12H11ClN4O/c1-17(11-3-5-16-7-10(11)14)12(18)8-2-4-15-6-9(8)13/h2-7H,14H2,1H3
InChIKeyNPEOOURPOSCMHA-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.99
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide

N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide (PubChem CID 66462789) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
PubChem CID66462789
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1Cl)c1ccncc1N
InChIInChI=1S/C12H11ClN4O/c1-17(11-3-5-16-7-10(11)14)12(18)8-2-4-15-6-9(8)13/h2-7H,14H2,1H3
InChIKeyNPEOOURPOSCMHA-UHFFFAOYSA-N
XLogP1.99
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
CID 61358233
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 61357841
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
N-(3-amino-4-pyridinyl)-N,2,5-trimethylfuran-3-carboxamide
CID 61358427
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 107729224
N-(3-amino-4-pyridinyl)-N,3,5-trimethylbenzamide
CID 61359205
N-(2-aminophenyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446196
N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
CID 107971013

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide (CID 66462789) is N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1Cl)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide?
The InChIKey is NPEOOURPOSCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17(11-3-5-16-7-10(11)14)12(18)8-2-4-15-6-9(8)13/h2-7H,14H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide?
N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66462789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).