N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide

C14H14N2O2 — CID 2303641

IUPACN-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c1-18-13-4-2-11(3-5-13)10-16-14(17)12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCFTNFDSEYGKMCU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.02
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide

N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 2303641) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID2303641
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c1-18-13-4-2-11(3-5-13)10-16-14(17)12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCFTNFDSEYGKMCU-UHFFFAOYSA-N
XLogP2.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide (CID 2303641) is N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide is COc1ccc(CNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is CFTNFDSEYGKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-4-2-11(3-5-13)10-16-14(17)12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 2303641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).