5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide

C10H12ClN3O2 — CID 122559914

IUPAC5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1O)c1ccc(Cl)cn1
InChIInChI=1S/C10H12ClN3O2/c11-6-1-2-7(13-3-6)10(16)14-8-4-12-5-9(8)15/h1-3,8-9,12,15H,4-5H2,(H,14,16)/t8-,9-/m1/s1
InChIKeyQEKAVUUFLJMPRF-RKDXNWHRSA-N
MW241.68 g/mol
LogP-0.20
Rot. Bonds2

About 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide

5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 122559914) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID122559914
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1O)c1ccc(Cl)cn1
InChIInChI=1S/C10H12ClN3O2/c11-6-1-2-7(13-3-6)10(16)14-8-4-12-5-9(8)15/h1-3,8-9,12,15H,4-5H2,(H,14,16)/t8-,9-/m1/s1
InChIKeyQEKAVUUFLJMPRF-RKDXNWHRSA-N
XLogP-0.20
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
CID 96528381
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
5-chloro-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 126423666
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
CID 114303054
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 107487182
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58396031

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide (CID 122559914) is 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CNC[C@H]1O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is QEKAVUUFLJMPRF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-6-1-2-7(13-3-6)10(16)14-8-4-12-5-9(8)15/h1-3,8-9,12,15H,4-5H2,(H,14,16)/t8-,9-/m1/s1.
What are the key properties of 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 241.68 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122559914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).