6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide

C13H13ClN4O — CID 55052253

IUPAC6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-18(2)11-6-7-15-8-10(11)17-13(19)9-4-3-5-12(14)16-9/h3-8H,1-2H3,(H,17,19)
InChIKeyVKXVRVIQLAWUTC-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.45
Rot. Bonds3

About 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide

6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 55052253) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID55052253
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-18(2)11-6-7-15-8-10(11)17-13(19)9-4-3-5-12(14)16-9/h3-8H,1-2H3,(H,17,19)
InChIKeyVKXVRVIQLAWUTC-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 63049052
2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376268
phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
CID 63374978
4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 43697150
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
N-[4-(dimethylamino)-3-pyridinyl]-1H-indole-6-carboxamide
CID 63318987
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717969
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide (CID 55052253) is 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide is CN(C)c1ccncc1NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is VKXVRVIQLAWUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-18(2)11-6-7-15-8-10(11)17-13(19)9-4-3-5-12(14)16-9/h3-8H,1-2H3,(H,17,19).
What are the key properties of 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide?
6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 55052253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).