methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate

C17H19N3O3 — CID 112520281

IUPACmethyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)NC(C)c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O3/c1-12(13-6-4-3-5-7-13)20-16(21)14-8-9-18-15(10-14)11-19-17(22)23-2/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQJQVDEJMFSHOTE-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.43
Rot. Bonds5

About methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate

methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112520281) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
PubChem CID112520281
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)NC(C)c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O3/c1-12(13-6-4-3-5-7-13)20-16(21)14-8-9-18-15(10-14)11-19-17(22)23-2/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQJQVDEJMFSHOTE-UHFFFAOYSA-N
XLogP2.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864
tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate
CID 138043528
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086006
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520355

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate (CID 112520281) is methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate is COC(=O)NCc1cc(C(=O)NC(C)c2ccccc2)ccn1.
What is the InChIKey of methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is QJQVDEJMFSHOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(13-6-4-3-5-7-13)20-16(21)14-8-9-18-15(10-14)11-19-17(22)23-2/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 313.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112520281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).