N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate

C19H22N3O3- — CID 22667751

IUPACN-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
SMILESCC(C)CCNC(=O)c1ncccc1-c1ccccc1CNC(=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-13(2)9-11-21-18(23)17-16(8-5-10-20-17)15-7-4-3-6-14(15)12-22-19(24)25/h3-8,10,13,22H,9,11-12H2,1-2H3,(H,21,23)(H,24,25)/p-1
InChIKeyQXYRUQHLWXMTPV-UHFFFAOYSA-M
MW340.40 g/mol
LogP1.96
Rot. Bonds7

About N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate

N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate (PubChem CID 22667751) has the molecular formula C19H22N3O3- and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate.

Molecular Properties

Compound NameN-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
PubChem CID22667751
Molecular FormulaC19H22N3O3-
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
SMILESCC(C)CCNC(=O)c1ncccc1-c1ccccc1CNC(=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-13(2)9-11-21-18(23)17-16(8-5-10-20-17)15-7-4-3-6-14(15)12-22-19(24)25/h3-8,10,13,22H,9,11-12H2,1-2H3,(H,21,23)(H,24,25)/p-1
InChIKeyQXYRUQHLWXMTPV-UHFFFAOYSA-M
XLogP1.96
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide
CID 142144640
propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144649
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
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
3-(2-ethylphenyl)pyridine-2-carboxamide
CID 174881246
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
tert-butyl N-[[2-[3-(3-methylbutylcarbamoyl)furan-2-yl]phenyl]methyl]carbamate
CID 10293533

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The IUPAC name of N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate (CID 22667751) is N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate.
What is the SMILES notation for N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The canonical SMILES for N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate is CC(C)CCNC(=O)c1ncccc1-c1ccccc1CNC(=O)[O-].
What is the InChIKey of N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The InChIKey is QXYRUQHLWXMTPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)9-11-21-18(23)17-16(8-5-10-20-17)15-7-4-3-6-14(15)12-22-19(24)25/h3-8,10,13,22H,9,11-12H2,1-2H3,(H,21,23)(H,24,25)/p-1.
What are the key properties of N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate has a molecular weight of 340.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate is sourced from PubChem (CID 22667751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).