N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide

C20H17N3O3 — CID 2579960

IUPACN-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H17N3O3/c1-26-16-6-4-5-15(13-16)22-20(25)17-7-2-3-8-18(17)23-19(24)14-9-11-21-12-10-14/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyPASRJALFOBTSQO-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds5

About N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide

N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 2579960) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID2579960
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H17N3O3/c1-26-16-6-4-5-15(13-16)22-20(25)17-7-2-3-8-18(17)23-19(24)14-9-11-21-12-10-14/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyPASRJALFOBTSQO-UHFFFAOYSA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide (CID 2579960) is N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is PASRJALFOBTSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-16-6-4-5-15(13-16)22-20(25)17-7-2-3-8-18(17)23-19(24)14-9-11-21-12-10-14/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide?
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 2579960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).