N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide

C20H16N4O2 — CID 51120966

IUPACN-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccncc1
InChIInChI=1S/C20H16N4O2/c25-19(15-8-10-21-11-9-15)23-16-5-3-4-14(12-16)13-22-20-24-17-6-1-2-7-18(17)26-20/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyOIPMWRPRGMHXCT-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide

N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 51120966) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
PubChem CID51120966
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccncc1
InChIInChI=1S/C20H16N4O2/c25-19(15-8-10-21-11-9-15)23-16-5-3-4-14(12-16)13-22-20-24-17-6-1-2-7-18(17)26-20/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyOIPMWRPRGMHXCT-UHFFFAOYSA-N
XLogP4.09
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1,3-benzoxazol-2-ylamino)methyl]phenol
CID 22241271
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide
CID 60527078
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-[3-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56563652
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60540832
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide
CID 175850177
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-[3-[[(6-nitro-1,3-benzothiazol-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 56556987
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide (CID 51120966) is N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccncc1.
What is the InChIKey of N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is OIPMWRPRGMHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-19(15-8-10-21-11-9-15)23-16-5-3-4-14(12-16)13-22-20-24-17-6-1-2-7-18(17)26-20/h1-12H,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide?
N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 51120966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).