benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate

C21H19N3O3 — CID 66870491

IUPACbenzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(=O)Nc2ccccn2)cc1)OCc1ccccc1
InChIInChI=1S/C21H19N3O3/c25-20(24-19-8-4-5-13-22-19)18-11-9-16(10-12-18)14-23-21(26)27-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,26)(H,22,24,25)
InChIKeyPQCFEDKVVRIJMF-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.76
Rot. Bonds6

About benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate

benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate (PubChem CID 66870491) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
PubChem CID66870491
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namebenzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(=O)Nc2ccccn2)cc1)OCc1ccccc1
InChIInChI=1S/C21H19N3O3/c25-20(24-19-8-4-5-13-22-19)18-11-9-16(10-12-18)14-23-21(26)27-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,26)(H,22,24,25)
InChIKeyPQCFEDKVVRIJMF-UHFFFAOYSA-N
XLogP3.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[[4-[3-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70655056
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
CID 1131245
(Z)-but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67401386
but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67399081
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide
CID 17099472

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate (CID 66870491) is benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate is O=C(NCc1ccc(C(=O)Nc2ccccn2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate?
The InChIKey is PQCFEDKVVRIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(24-19-8-4-5-13-22-19)18-11-9-16(10-12-18)14-23-21(26)27-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,26)(H,22,24,25).
What are the key properties of benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate?
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate has a molecular weight of 361.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 66870491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).