[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid

C11H15N3O2 — CID 170319554

IUPAC[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
SMILESCC1CCCN1c1ccc(NC(=O)O)cn1
InChIInChI=1S/C11H15N3O2/c1-8-3-2-6-14(8)10-5-4-9(7-12-10)13-11(15)16/h4-5,7-8,13H,2-3,6H2,1H3,(H,15,16)
InChIKeyHLSUZLMNGWWSKZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.16
Rot. Bonds2

About [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid

[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid (PubChem CID 170319554) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
PubChem CID170319554
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
SMILESCC1CCCN1c1ccc(NC(=O)O)cn1
InChIInChI=1S/C11H15N3O2/c1-8-3-2-6-14(8)10-5-4-9(7-12-10)13-11(15)16/h4-5,7-8,13H,2-3,6H2,1H3,(H,15,16)
InChIKeyHLSUZLMNGWWSKZ-UHFFFAOYSA-N
XLogP2.16
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034790
1-[6-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]-3-propan-2-ylthiourea
CID 125047318
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
CID 174191038
[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea
CID 118333092
1-[6-(2-methylpiperidin-1-yl)-3-pyridinyl]-3-[(1-phenylcyclohexyl)methyl]thiourea
CID 133149918
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
[3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid
CID 170319547
2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113015544

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid (CID 170319554) is [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid is CC1CCCN1c1ccc(NC(=O)O)cn1.
What is the InChIKey of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
The InChIKey is HLSUZLMNGWWSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-3-2-6-14(8)10-5-4-9(7-12-10)13-11(15)16/h4-5,7-8,13H,2-3,6H2,1H3,(H,15,16).
What are the key properties of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid has a molecular weight of 221.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 170319554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).