N-[5-(4-methylphenyl)-2-pyridinyl]formamide

C13H12N2O — CID 87377531

IUPACN-[5-(4-methylphenyl)-2-pyridinyl]formamide
SMILESCc1ccc(-c2ccc(NC=O)nc2)cc1
InChIInChI=1S/C13H12N2O/c1-10-2-4-11(5-3-10)12-6-7-13(14-8-12)15-9-16/h2-9H,1H3,(H,14,15,16)
InChIKeyNFCPECAGVLJSPX-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.63
Rot. Bonds3

About N-[5-(4-methylphenyl)-2-pyridinyl]formamide

N-[5-(4-methylphenyl)-2-pyridinyl]formamide (PubChem CID 87377531) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-2-pyridinyl]formamide
PubChem CID87377531
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-[5-(4-methylphenyl)-2-pyridinyl]formamide
SMILESCc1ccc(-c2ccc(NC=O)nc2)cc1
InChIInChI=1S/C13H12N2O/c1-10-2-4-11(5-3-10)12-6-7-13(14-8-12)15-9-16/h2-9H,1H3,(H,14,15,16)
InChIKeyNFCPECAGVLJSPX-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-2-pyridinyl]formamide?
The IUPAC name of N-[5-(4-methylphenyl)-2-pyridinyl]formamide (CID 87377531) is N-[5-(4-methylphenyl)-2-pyridinyl]formamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-2-pyridinyl]formamide?
The canonical SMILES for N-[5-(4-methylphenyl)-2-pyridinyl]formamide is Cc1ccc(-c2ccc(NC=O)nc2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-2-pyridinyl]formamide?
The InChIKey is NFCPECAGVLJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-2-4-11(5-3-10)12-6-7-13(14-8-12)15-9-16/h2-9H,1H3,(H,14,15,16).
What are the key properties of N-[5-(4-methylphenyl)-2-pyridinyl]formamide?
N-[5-(4-methylphenyl)-2-pyridinyl]formamide has a molecular weight of 212.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-2-pyridinyl]formamide is sourced from PubChem (CID 87377531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).