phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate

C17H19N3O2 — CID 164583973

IUPACphenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)ncc1N1CCCC1
InChIInChI=1S/C17H19N3O2/c1-13-11-16(18-12-15(13)20-9-5-6-10-20)19-17(21)22-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,19,21)
InChIKeyZCFVSMZHHOKZBK-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.60
Rot. Bonds3

About phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate

phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate (PubChem CID 164583973) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate
PubChem CID164583973
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namephenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)ncc1N1CCCC1
InChIInChI=1S/C17H19N3O2/c1-13-11-16(18-12-15(13)20-9-5-6-10-20)19-17(21)22-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,19,21)
InChIKeyZCFVSMZHHOKZBK-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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phenyl N-(6-methoxypyrimidin-4-yl)carbamate
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ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate
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phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
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2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
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4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
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phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
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phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
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(4-nitrophenyl) N-(2-pyrrolidin-1-ylphenyl)carbamate
CID 67033509

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate?
The IUPAC name of phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate (CID 164583973) is phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate is Cc1cc(NC(=O)Oc2ccccc2)ncc1N1CCCC1.
What is the InChIKey of phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate?
The InChIKey is ZCFVSMZHHOKZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-11-16(18-12-15(13)20-9-5-6-10-20)19-17(21)22-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,19,21).
What are the key properties of phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate?
phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate has a molecular weight of 297.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 164583973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).