1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide

C12H17N3O2 — CID 83131762

IUPAC1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](O)c1ccc(N2CCCC2C(N)=O)cn1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-5-4-9(7-14-10)15-6-2-3-11(15)12(13)17/h4-5,7-8,11,16H,2-3,6H2,1H3,(H2,13,17)/t8-,11?/m1/s1
InChIKeyHKALZBWIKHIFOX-RZZZFEHKSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds3

About 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide

1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 83131762) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID83131762
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](O)c1ccc(N2CCCC2C(N)=O)cn1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-5-4-9(7-14-10)15-6-2-3-11(15)12(13)17/h4-5,7-8,11,16H,2-3,6H2,1H3,(H2,13,17)/t8-,11?/m1/s1
InChIKeyHKALZBWIKHIFOX-RZZZFEHKSA-N
XLogP0.59
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(1-hydroxyethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 83131679
(1R)-1-[5-(2-propan-2-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131400
1-(6-amino-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43212069
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
CID 83132541
(1R)-1-[5-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132239
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]ethanol
CID 83132593
(1S)-1-[5-(2-ethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132296
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 79603236
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281472
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide (CID 83131762) is 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide is C[C@@H](O)c1ccc(N2CCCC2C(N)=O)cn1.
What is the InChIKey of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is HKALZBWIKHIFOX-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)10-5-4-9(7-14-10)15-6-2-3-11(15)12(13)17/h4-5,7-8,11,16H,2-3,6H2,1H3,(H2,13,17)/t8-,11?/m1/s1.
What are the key properties of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide?
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83131762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).