1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone

C14H22N4O — CID 62463955

IUPAC1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
SMILESCNc1cc(CN2CCCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C14H22N4O/c1-12(19)18-7-3-6-17(8-9-18)11-13-4-5-16-14(10-13)15-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,16)
InChIKeyLQIDHPARNBULGO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.18
Rot. Bonds3

About 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone

1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 62463955) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID62463955
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
SMILESCNc1cc(CN2CCCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C14H22N4O/c1-12(19)18-7-3-6-17(8-9-18)11-13-4-5-16-14(10-13)15-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,16)
InChIKeyLQIDHPARNBULGO-UHFFFAOYSA-N
XLogP1.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62464134
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 63885773
ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107877716
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbothioamide
CID 63881119
1-[4-[(6-hydrazinyl-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62246277
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate
CID 62470917
1-[4-fluoro-1-[[2-(methylamino)-4-pyridinyl]methyl]piperidin-4-yl]butan-1-one
CID 91239121
4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine
CID 55075288
1-[4-[[4-(aminomethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 55004248
1-[4-[(3-amino-4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004147
4-[(2-chloro-4-pyridinyl)methyl]-N-methylpiperazine-1-carboxamide
CID 58285194
2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226403

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone (CID 62463955) is 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone is CNc1cc(CN2CCCN(C(C)=O)CC2)ccn1.
What is the InChIKey of 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is LQIDHPARNBULGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12(19)18-7-3-6-17(8-9-18)11-13-4-5-16-14(10-13)15-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,16).
What are the key properties of 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 62463955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).