(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone

C15H23N3O — CID 56822431

IUPAC(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)c2ccc(C)nc2)CC1
InChIInChI=1S/C15H23N3O/c1-3-7-17-8-4-9-18(11-10-17)15(19)14-6-5-13(2)16-12-14/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyWEKKTPUUOLBGTP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds3

About (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone

(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone (PubChem CID 56822431) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone
PubChem CID56822431
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone
SMILESCCCN1CCCN(C(=O)c2ccc(C)nc2)CC1
InChIInChI=1S/C15H23N3O/c1-3-7-17-8-4-9-18(11-10-17)15(19)14-6-5-13(2)16-12-14/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyWEKKTPUUOLBGTP-UHFFFAOYSA-N
XLogP1.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 31112745
2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]ethanethioamide
CID 55203104
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
2-[4-(6-bromopyridine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 66462658
N-cyclopropyl-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 43045355
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 71396472
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
CID 46377940
3-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322926
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 91904675
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone (CID 56822431) is (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone is CCCN1CCCN(C(=O)c2ccc(C)nc2)CC1.
What is the InChIKey of (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone?
The InChIKey is WEKKTPUUOLBGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-7-17-8-4-9-18(11-10-17)15(19)14-6-5-13(2)16-12-14/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone?
(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 56822431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).