(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone

C15H24N4O — CID 62240932

IUPAC(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCN(C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-3-8-16-14-7-4-6-13(17-14)15(20)19-10-5-9-18(2)11-12-19/h4,6-7H,3,5,8-12H2,1-2H3,(H,16,17)
InChIKeyUEGZCRMJSOXQKC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

About (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone

(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (PubChem CID 62240932) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
PubChem CID62240932
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCCN(C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-3-8-16-14-7-4-6-13(17-14)15(20)19-10-5-9-18(2)11-12-19/h4,6-7H,3,5,8-12H2,1-2H3,(H,16,17)
InChIKeyUEGZCRMJSOXQKC-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62966972
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 81109407
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698
(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 79180595
(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62239996
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 65322102
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 107226312
[6-(ethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 62239087
1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 79234151

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (CID 62240932) is (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone is CCCNc1cccc(C(=O)N2CCCN(C)CC2)n1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The InChIKey is UEGZCRMJSOXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-8-16-14-7-4-6-13(17-14)15(20)19-10-5-9-18(2)11-12-19/h4,6-7H,3,5,8-12H2,1-2H3,(H,16,17).
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 62240932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).