(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C13H17N3O — CID 65465058

IUPAC(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESNC1(C(=O)N2CCCC2c2ccncc2)CC1
InChIInChI=1S/C13H17N3O/c14-13(5-6-13)12(17)16-9-1-2-11(16)10-3-7-15-8-4-10/h3-4,7-8,11H,1-2,5-6,9,14H2
InChIKeyHBJYGGVRRBHQTB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.24
Rot. Bonds2

About (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 65465058) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID65465058
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESNC1(C(=O)N2CCCC2c2ccncc2)CC1
InChIInChI=1S/C13H17N3O/c14-13(5-6-13)12(17)16-9-1-2-11(16)10-3-7-15-8-4-10/h3-4,7-8,11H,1-2,5-6,9,14H2
InChIKeyHBJYGGVRRBHQTB-UHFFFAOYSA-N
XLogP1.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110871633
4-methyl-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 24670296
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 43579561
(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 61155959
N-methyl-N-[2-oxo-2-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 94097785
2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide
CID 86921275
1-(4-methylphenyl)-4-(2-pyridin-4-ylpyrrolidin-1-yl)butane-1,4-dione
CID 86920444
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 65465058) is (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is NC1(C(=O)N2CCCC2c2ccncc2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is HBJYGGVRRBHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13(5-6-13)12(17)16-9-1-2-11(16)10-3-7-15-8-4-10/h3-4,7-8,11H,1-2,5-6,9,14H2.
What are the key properties of (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 65465058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).