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

C15H20N2O — CID 112583682

IUPAC1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(CC2CC2)C2CC2)cn1
InChIInChI=1S/C15H20N2O/c1-2-15(18)14-8-7-13(9-16-14)17(12-5-6-12)10-11-3-4-11/h7-9,11-12H,2-6,10H2,1H3
InChIKeyLOFACQFAGUALAL-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.05
Rot. Bonds6

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

1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one (PubChem CID 112583682) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one
PubChem CID112583682
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(CC2CC2)C2CC2)cn1
InChIInChI=1S/C15H20N2O/c1-2-15(18)14-8-7-13(9-16-14)17(12-5-6-12)10-11-3-4-11/h7-9,11-12H,2-6,10H2,1H3
InChIKeyLOFACQFAGUALAL-UHFFFAOYSA-N
XLogP3.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[cyclopropylmethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-one
CID 112583609
6-[(1R)-1-aminopropyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-3-amine
CID 103937427
N-cyclopropyl-N-(cyclopropylmethyl)-6-[1-(methylamino)propyl]pyridin-3-amine
CID 112584477
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone
CID 83119849
1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119574
CID 89241370
CID 89241370
1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one
CID 112583562
1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
CID 115939016
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one (CID 112583682) is 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(N(CC2CC2)C2CC2)cn1.
What is the InChIKey of 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one?
The InChIKey is LOFACQFAGUALAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15(18)14-8-7-13(9-16-14)17(12-5-6-12)10-11-3-4-11/h7-9,11-12H,2-6,10H2,1H3.
What are the key properties of 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one?
1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one has a molecular weight of 244.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).