2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane

C14H16ClN3O — CID 144842731

IUPAC2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
SMILESCC.Cc1ccncc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H10ClN3O.C2H6/c1-8-2-4-14-7-10(8)16-12(17)9-3-5-15-11(13)6-9;1-2/h2-7H,1H3,(H,16,17);1-2H3
InChIKeyDPPWCIUDXDJSJZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane

2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane (PubChem CID 144842731) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
PubChem CID144842731
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
SMILESCC.Cc1ccncc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H10ClN3O.C2H6/c1-8-2-4-14-7-10(8)16-12(17)9-3-5-15-11(13)6-9;1-2/h2-7H,1H3,(H,16,17);1-2H3
InChIKeyDPPWCIUDXDJSJZ-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-iodo-3-pyridinyl)pyridine-4-carboxamide
CID 118063649
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
CID 63326386
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63327302
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
N-(4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 55225910
2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118064118
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
CID 39188157
4-hydrazinyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63328534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane?
The IUPAC name of 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane (CID 144842731) is 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane.
What is the SMILES notation for 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane?
The canonical SMILES for 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane is CC.Cc1ccncc1NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane?
The InChIKey is DPPWCIUDXDJSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O.C2H6/c1-8-2-4-14-7-10(8)16-12(17)9-3-5-15-11(13)6-9;1-2/h2-7H,1H3,(H,16,17);1-2H3.
What are the key properties of 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane?
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane has a molecular weight of 277.76 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane is sourced from PubChem (CID 144842731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).