N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide

C13H16ClN3O — CID 146084912

IUPACN-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCC(C2CC2)C1
InChIInChI=1S/C13H16ClN3O/c14-12-4-3-11(7-15-12)16-13(18)17-6-5-10(8-17)9-1-2-9/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,18)
InChIKeyYJCXRBPWKUCRON-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.00
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide

N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide (PubChem CID 146084912) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide
PubChem CID146084912
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCC(C2CC2)C1
InChIInChI=1S/C13H16ClN3O/c14-12-4-3-11(7-15-12)16-13(18)17-6-5-10(8-17)9-1-2-9/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,18)
InChIKeyYJCXRBPWKUCRON-UHFFFAOYSA-N
XLogP3.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 47433118
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
N-(6-chloro-3-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10214947
N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
CID 146076546
(3S,4S)-4-(1,3-benzodioxol-5-yl)-N-(6-chloro-3-pyridinyl)-3-hydroxypiperidine-1-carboxamide
CID 50965232
(1S,2S,4S)-N-(6-chloro-3-pyridinyl)spiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-carboxamide
CID 100712520
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 72877334
N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70736483
N-(6-chloro-5-methyl-3-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 146089895
N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
CID 54788342

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide (CID 146084912) is N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)nc1)N1CCC(C2CC2)C1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide?
The InChIKey is YJCXRBPWKUCRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-12-4-3-11(7-15-12)16-13(18)17-6-5-10(8-17)9-1-2-9/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,18).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide?
N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide is sourced from PubChem (CID 146084912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).