(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

C13H19N3O — CID 105071136

IUPAC(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccncc2N)C1
InChIInChI=1S/C13H19N3O/c1-9(2)10-4-6-16(8-10)13(17)11-3-5-15-7-12(11)14/h3,5,7,9-10H,4,6,8,14H2,1-2H3
InChIKeyISDMGLPVHHHHNC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.78
Rot. Bonds2

About (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 105071136) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID105071136
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccncc2N)C1
InChIInChI=1S/C13H19N3O/c1-9(2)10-4-6-16(8-10)13(17)11-3-5-15-7-12(11)14/h3,5,7,9-10H,4,6,8,14H2,1-2H3
InChIKeyISDMGLPVHHHHNC-UHFFFAOYSA-N
XLogP1.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 105070126
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 105070123
(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 105070498
(3-amino-2-bromophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113416735
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
(1-chloroisoquinolin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 106766342
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
CID 110850208
(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113254113

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 105071136) is (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccncc2N)C1.
What is the InChIKey of (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is ISDMGLPVHHHHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)10-4-6-16(8-10)13(17)11-3-5-15-7-12(11)14/h3,5,7,9-10H,4,6,8,14H2,1-2H3.
What are the key properties of (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 105071136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).