azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone

C15H23N3O — CID 62172577

IUPACazepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-2-9-16-14-8-7-13(12-17-14)15(19)18-10-5-3-4-6-11-18/h7-8,12H,2-6,9-11H2,1H3,(H,16,17)
InChIKeyDIXAPHDOSQKPMO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds4

About azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone

azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone (PubChem CID 62172577) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
PubChem CID62172577
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Nameazepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C15H23N3O/c1-2-9-16-14-8-7-13(12-17-14)15(19)18-10-5-3-4-6-11-18/h7-8,12H,2-6,9-11H2,1H3,(H,16,17)
InChIKeyDIXAPHDOSQKPMO-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 107228678
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 131923003
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
azepan-1-yl-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109161934
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 102936156
N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63208830

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone (CID 62172577) is azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone is CCCNc1ccc(C(=O)N2CCCCCC2)cn1.
What is the InChIKey of azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone?
The InChIKey is DIXAPHDOSQKPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-9-16-14-8-7-13(12-17-14)15(19)18-10-5-3-4-6-11-18/h7-8,12H,2-6,9-11H2,1H3,(H,16,17).
What are the key properties of azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone?
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62172577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).