[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid

C10H14N4O2 — CID 135335154

IUPAC[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESNc1cc(N2CCC(NC(=O)O)C2)ccn1
InChIInChI=1S/C10H14N4O2/c11-9-5-8(1-3-12-9)14-4-2-7(6-14)13-10(15)16/h1,3,5,7,13H,2,4,6H2,(H2,11,12)(H,15,16)
InChIKeyCKMZJLLFYZPBKG-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.51
Rot. Bonds2

About [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid

[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 135335154) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
PubChem CID135335154
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESNc1cc(N2CCC(NC(=O)O)C2)ccn1
InChIInChI=1S/C10H14N4O2/c11-9-5-8(1-3-12-9)14-4-2-7(6-14)13-10(15)16/h1,3,5,7,13H,2,4,6H2,(H2,11,12)(H,15,16)
InChIKeyCKMZJLLFYZPBKG-UHFFFAOYSA-N
XLogP0.51
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
N-[1-(2-amino-4-pyridinyl)piperidin-3-yl]formamide
CID 175189434
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
[1-(3-bromo-4-iodophenyl)pyrrolidin-3-yl]carbamic acid
CID 170357486
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
4-(4-fluoropiperidin-1-yl)pyridin-2-amine
CID 164659406
[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
CID 175111537
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
[1-(4-formylphenyl)pyrrolidin-3-yl]carbamic acid
CID 87405577
[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
CID 155168148
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid (CID 135335154) is [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid is Nc1cc(N2CCC(NC(=O)O)C2)ccn1.
What is the InChIKey of [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is CKMZJLLFYZPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-9-5-8(1-3-12-9)14-4-2-7(6-14)13-10(15)16/h1,3,5,7,13H,2,4,6H2,(H2,11,12)(H,15,16).
What are the key properties of [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 222.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 135335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).