1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one

C15H22N2O — CID 112583609

IUPAC1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(CC2CC2)C(C)C)cn1
InChIInChI=1S/C15H22N2O/c1-4-15(18)14-8-7-13(9-16-14)17(11(2)3)10-12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyQUJHOQHXLQBINQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.30
Rot. Bonds6

About 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one

1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one (PubChem CID 112583609) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one
PubChem CID112583609
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(CC2CC2)C(C)C)cn1
InChIInChI=1S/C15H22N2O/c1-4-15(18)14-8-7-13(9-16-14)17(11(2)3)10-12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyQUJHOQHXLQBINQ-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one
CID 112583682
6-(aminomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-3-amine
CID 115486961
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
CID 83120329
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol
CID 83132171
1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119574

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one (CID 112583609) is 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(N(CC2CC2)C(C)C)cn1.
What is the InChIKey of 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one?
The InChIKey is QUJHOQHXLQBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-15(18)14-8-7-13(9-16-14)17(11(2)3)10-12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3.
What are the key properties of 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one?
1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).