[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C14H21N3O — CID 109225306

IUPAC[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-3-11(2)16-13-8-12(9-15-10-13)14(18)17-6-4-5-7-17/h8-11,16H,3-7H2,1-2H3
InChIKeyNCBJGUOOLWKTAI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds4

About [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225306) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225306
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-3-11(2)16-13-8-12(9-15-10-13)14(18)17-6-4-5-7-17/h8-11,16H,3-7H2,1-2H3
InChIKeyNCBJGUOOLWKTAI-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109225394
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
CID 109238896
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223421

Frequently Asked Questions

What is the IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225306) is [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCC(C)Nc1cncc(C(=O)N2CCCC2)c1.
What is the InChIKey of [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NCBJGUOOLWKTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11(2)16-13-8-12(9-15-10-13)14(18)17-6-4-5-7-17/h8-11,16H,3-7H2,1-2H3.
What are the key properties of [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).