N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide

C19H16N4O2 — CID 108926051

IUPACN-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)c1ccncc1)c1cccnc1
InChIInChI=1S/C19H16N4O2/c24-18(16-5-3-9-21-12-16)22-13-15-4-1-2-6-17(15)23-19(25)14-7-10-20-11-8-14/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyXVQZOMNSSZZDHX-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.66
Rot. Bonds5

About N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide

N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926051) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926051
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)c1ccncc1)c1cccnc1
InChIInChI=1S/C19H16N4O2/c24-18(16-5-3-9-21-12-16)22-13-15-4-1-2-6-17(15)23-19(25)14-7-10-20-11-8-14/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyXVQZOMNSSZZDHX-UHFFFAOYSA-N
XLogP2.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925855
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926215
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide (CID 108926051) is N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1NC(=O)c1ccncc1)c1cccnc1.
What is the InChIKey of N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XVQZOMNSSZZDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18(16-5-3-9-21-12-16)22-13-15-4-1-2-6-17(15)23-19(25)14-7-10-20-11-8-14/h1-12H,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide?
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).