4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide

C13H12ClN3O2 — CID 81233280

IUPAC4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnccc2Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c1-2-19-12-4-3-9(7-16-12)17-13(18)10-8-15-6-5-11(10)14/h3-8H,2H2,1H3,(H,17,18)
InChIKeyVPZVDZZIZUBENE-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.78
Rot. Bonds4

About 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide

4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 81233280) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID81233280
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnccc2Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c1-2-19-12-4-3-9(7-16-12)17-13(18)10-8-15-6-5-11(10)14/h3-8H,2H2,1H3,(H,17,18)
InChIKeyVPZVDZZIZUBENE-UHFFFAOYSA-N
XLogP2.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 115930617
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
CID 81226778
N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 115498032
N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103747377
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide (CID 81233280) is 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cnccc2Cl)cn1.
What is the InChIKey of 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is VPZVDZZIZUBENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-2-19-12-4-3-9(7-16-12)17-13(18)10-8-15-6-5-11(10)14/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide?
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 81233280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).