propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate

C23H23N3O3 — CID 142144649

IUPACpropan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1ccccc1-c1cccnc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-16(2)29-23(28)25-15-17-9-6-7-12-19(17)20-13-8-14-24-21(20)22(27)26-18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyKZNZUIQQUPNGRN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.64
Rot. Bonds6

About propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate

propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate (PubChem CID 142144649) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
PubChem CID142144649
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namepropan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1ccccc1-c1cccnc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-16(2)29-23(28)25-15-17-9-6-7-12-19(17)20-13-8-14-24-21(20)22(27)26-18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyKZNZUIQQUPNGRN-UHFFFAOYSA-N
XLogP4.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144655
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
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propan-2-yl N-(quinolin-5-ylmethyl)carbamate
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3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
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3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide
CID 142144640
(2S)-2-amino-3-[2-[[2-(phenylcarbamoyl)-3-pyridinyl]amino]phenyl]propanoic acid
CID 91232620
2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
CID 82736524
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55717388
3-(6-formyl-2-hydroxy-3-methoxyphenyl)-N-phenylpyridine-2-carboxamide
CID 102471812
tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The IUPAC name of propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate (CID 142144649) is propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The canonical SMILES for propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate is CC(C)OC(=O)NCc1ccccc1-c1cccnc1C(=O)Nc1ccccc1.
What is the InChIKey of propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The InChIKey is KZNZUIQQUPNGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(2)29-23(28)25-15-17-9-6-7-12-19(17)20-13-8-14-24-21(20)22(27)26-18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate has a molecular weight of 389.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate is sourced from PubChem (CID 142144649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).