1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one

C13H20N2O — CID 112583508

IUPAC1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
SMILESCCCN(CC)c1ccc(C(=O)CC)nc1
InChIInChI=1S/C13H20N2O/c1-4-9-15(6-3)11-7-8-12(14-10-11)13(16)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyMZZSAQNRCXRSPM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.91
Rot. Bonds6

About 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one

1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one (PubChem CID 112583508) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
PubChem CID112583508
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
SMILESCCCN(CC)c1ccc(C(=O)CC)nc1
InChIInChI=1S/C13H20N2O/c1-4-9-15(6-3)11-7-8-12(14-10-11)13(16)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyMZZSAQNRCXRSPM-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
CID 115939016
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone
CID 83119863
N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
CID 109190727
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one
CID 112583682
1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119677

Frequently Asked Questions

What is the IUPAC name of 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one (CID 112583508) is 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one is CCCN(CC)c1ccc(C(=O)CC)nc1.
What is the InChIKey of 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one?
The InChIKey is MZZSAQNRCXRSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-9-15(6-3)11-7-8-12(14-10-11)13(16)5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one?
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).