N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide

C14H13N3O2 — CID 54071035

IUPACN-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide
SMILESCN(C(=O)N(C=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13N3O2/c1-16(13-9-5-6-10-15-13)14(19)17(11-18)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyXZLNTULKASSASE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.30
Rot. Bonds3

About N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide

N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide (PubChem CID 54071035) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide.

Molecular Properties

Compound NameN-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide
PubChem CID54071035
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide
SMILESCN(C(=O)N(C=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13N3O2/c1-16(13-9-5-6-10-15-13)14(19)17(11-18)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyXZLNTULKASSASE-UHFFFAOYSA-N
XLogP2.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide?
The IUPAC name of N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide (CID 54071035) is N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide.
What is the SMILES notation for N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide?
The canonical SMILES for N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide is CN(C(=O)N(C=O)c1ccccc1)c1ccccn1.
What is the InChIKey of N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide?
The InChIKey is XZLNTULKASSASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-16(13-9-5-6-10-15-13)14(19)17(11-18)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide?
N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide has a molecular weight of 255.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide is sourced from PubChem (CID 54071035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).