[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid

C19H16N4O3 — CID 141164499

IUPAC[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid
SMILESO=C(O)NC(c1ccc(C(=O)Nc2ccncc2)cc1)c1ccccn1
InChIInChI=1S/C19H16N4O3/c24-18(22-15-8-11-20-12-9-15)14-6-4-13(5-7-14)17(23-19(25)26)16-3-1-2-10-21-16/h1-12,17,23H,(H,25,26)(H,20,22,24)
InChIKeyYFSJOYXJIUDESA-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.09
Rot. Bonds5

About [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid

[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid (PubChem CID 141164499) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid.

Molecular Properties

Compound Name[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid
PubChem CID141164499
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid
SMILESO=C(O)NC(c1ccc(C(=O)Nc2ccncc2)cc1)c1ccccn1
InChIInChI=1S/C19H16N4O3/c24-18(22-15-8-11-20-12-9-15)14-6-4-13(5-7-14)17(23-19(25)26)16-3-1-2-10-21-16/h1-12,17,23H,(H,25,26)(H,20,22,24)
InChIKeyYFSJOYXJIUDESA-UHFFFAOYSA-N
XLogP3.09
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
4-[methylamino(pyridin-2-yl)methyl]benzoic acid
CID 116953941
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
CID 51168657
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853

Frequently Asked Questions

What is the IUPAC name of [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid?
The IUPAC name of [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid (CID 141164499) is [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid.
What is the SMILES notation for [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid?
The canonical SMILES for [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid is O=C(O)NC(c1ccc(C(=O)Nc2ccncc2)cc1)c1ccccn1.
What is the InChIKey of [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid?
The InChIKey is YFSJOYXJIUDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-18(22-15-8-11-20-12-9-15)14-6-4-13(5-7-14)17(23-19(25)26)16-3-1-2-10-21-16/h1-12,17,23H,(H,25,26)(H,20,22,24).
What are the key properties of [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid?
[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid has a molecular weight of 348.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid is sourced from PubChem (CID 141164499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).