[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone

C17H27N3O — CID 81235678

IUPAC[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cnc(C)cc2NC)CC1
InChIInChI=1S/C17H27N3O/c1-4-6-14-7-5-9-20(10-8-14)17(21)15-12-19-13(2)11-16(15)18-3/h11-12,14H,4-10H2,1-3H3,(H,18,19)
InChIKeyFEJFHCMRADSBRM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.47
Rot. Bonds4

About [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone

[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone (PubChem CID 81235678) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
PubChem CID81235678
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cnc(C)cc2NC)CC1
InChIInChI=1S/C17H27N3O/c1-4-6-14-7-5-9-20(10-8-14)17(21)15-12-19-13(2)11-16(15)18-3/h11-12,14H,4-10H2,1-3H3,(H,18,19)
InChIKeyFEJFHCMRADSBRM-UHFFFAOYSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone?
The IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone (CID 81235678) is [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone?
The canonical SMILES for [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)c2cnc(C)cc2NC)CC1.
What is the InChIKey of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone?
The InChIKey is FEJFHCMRADSBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-6-14-7-5-9-20(10-8-14)17(21)15-12-19-13(2)11-16(15)18-3/h11-12,14H,4-10H2,1-3H3,(H,18,19).
What are the key properties of [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone?
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 81235678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).