4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide

C14H10ClN3O2 — CID 60776333

IUPAC4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2cc(Cl)ccn2)c1
InChIInChI=1S/C14H10ClN3O2/c15-10-4-6-17-13(8-10)14(19)18-11-2-1-3-12(9-11)20-7-5-16/h1-4,6,8-9H,7H2,(H,18,19)
InChIKeyXOGLQPMTLTXDIJ-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide

4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 60776333) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
PubChem CID60776333
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2cc(Cl)ccn2)c1
InChIInChI=1S/C14H10ClN3O2/c15-10-4-6-17-13(8-10)14(19)18-11-2-1-3-12(9-11)20-7-5-16/h1-4,6,8-9H,7H2,(H,18,19)
InChIKeyXOGLQPMTLTXDIJ-UHFFFAOYSA-N
XLogP2.89
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 62298914
4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide (CID 60776333) is 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide is N#CCOc1cccc(NC(=O)c2cc(Cl)ccn2)c1.
What is the InChIKey of 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is XOGLQPMTLTXDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-10-4-6-17-13(8-10)14(19)18-11-2-1-3-12(9-11)20-7-5-16/h1-4,6,8-9H,7H2,(H,18,19).
What are the key properties of 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide?
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60776333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).