1-[6-(dipropylamino)-3-pyridinyl]propan-1-one

C14H22N2O — CID 102546645

IUPAC1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
SMILESCCCN(CCC)c1ccc(C(=O)CC)cn1
InChIInChI=1S/C14H22N2O/c1-4-9-16(10-5-2)14-8-7-12(11-15-14)13(17)6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyRCAOMAHPBTUIDR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.30
Rot. Bonds7

About 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one

1-[6-(dipropylamino)-3-pyridinyl]propan-1-one (PubChem CID 102546645) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
PubChem CID102546645
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
SMILESCCCN(CCC)c1ccc(C(=O)CC)cn1
InChIInChI=1S/C14H22N2O/c1-4-9-16(10-5-2)14-8-7-12(11-15-14)13(17)6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyRCAOMAHPBTUIDR-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
6-(dipropylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158139
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
6-(dipropylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109161818
N-(3-acetamidophenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161832
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
6-(dipropylamino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161816
6-(dipropylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161795
N-(2,3-dimethylphenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161803
N-(2-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119628032
6-[ethyl(propyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43268817
6-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109161852

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one (CID 102546645) is 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one is CCCN(CCC)c1ccc(C(=O)CC)cn1.
What is the InChIKey of 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one?
The InChIKey is RCAOMAHPBTUIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-16(10-5-2)14-8-7-12(11-15-14)13(17)6-3/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one?
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dipropylamino)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 102546645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).