phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate

C17H19N3O2 — CID 169322862

IUPACphenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
SMILESC[C@@H]1CCCN1c1ccc(NC(=O)Oc2ccccc2)cn1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-11-20(13)16-10-9-14(12-18-16)19-17(21)22-15-7-3-2-4-8-15/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyZHAOMCCHWSZJNO-CYBMUJFWSA-N
MW297.36 g/mol
LogP3.68
Rot. Bonds3

About phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate

phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate (PubChem CID 169322862) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
PubChem CID169322862
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namephenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
SMILESC[C@@H]1CCCN1c1ccc(NC(=O)Oc2ccccc2)cn1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-11-20(13)16-10-9-14(12-18-16)19-17(21)22-15-7-3-2-4-8-15/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyZHAOMCCHWSZJNO-CYBMUJFWSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
CID 170319554
phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 170781349
4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034790
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
CID 174191038
1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea
CID 125047318
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
1-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-3-[(1-phenylcyclohexyl)methyl]thiourea
CID 133149918
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
CID 86676127
[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea
CID 118333092
phenyl N-(6-nitro-3-pyridinyl)carbamate
CID 141417930
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate (CID 169322862) is phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate is C[C@@H]1CCCN1c1ccc(NC(=O)Oc2ccccc2)cn1.
What is the InChIKey of phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate?
The InChIKey is ZHAOMCCHWSZJNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-5-11-20(13)16-10-9-14(12-18-16)19-17(21)22-15-7-3-2-4-8-15/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate?
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 169322862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).