1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide

C16H24N4O2 — CID 110107506

IUPAC1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(Cc2ncccc2C)CCN(C(C)=O)C1
InChIInChI=1S/C16H24N4O2/c1-12-5-4-6-18-15(12)11-19-7-8-20(13(2)21)10-14(9-19)16(22)17-3/h4-6,14H,7-11H2,1-3H3,(H,17,22)
InChIKeyZMCYAJJKWLLJDP-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.42
Rot. Bonds3

About 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide

1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide (PubChem CID 110107506) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
PubChem CID110107506
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(Cc2ncccc2C)CCN(C(C)=O)C1
InChIInChI=1S/C16H24N4O2/c1-12-5-4-6-18-15(12)11-19-7-8-20(13(2)21)10-14(9-19)16(22)17-3/h4-6,14H,7-11H2,1-3H3,(H,17,22)
InChIKeyZMCYAJJKWLLJDP-UHFFFAOYSA-N
XLogP0.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
CID 73440375
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
1-acetyl-N-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-6-carboxamide
CID 127247929
(6S)-1-acetyl-4-(1H-imidazol-5-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124945058
(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124959435
(6S)-1-acetyl-N,N-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]-1,4-diazepane-6-carboxamide
CID 125008024
1-acetyl-4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 127245448
(6R)-1-acetyl-N,N-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]-1,4-diazepane-6-carboxamide
CID 125008025
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
1-acetyl-4-(2H-chromen-3-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 127245431
(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896192

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide (CID 110107506) is 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide is CNC(=O)C1CN(Cc2ncccc2C)CCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide?
The InChIKey is ZMCYAJJKWLLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-5-4-6-18-15(12)11-19-7-8-20(13(2)21)10-14(9-19)16(22)17-3/h4-6,14H,7-11H2,1-3H3,(H,17,22).
What are the key properties of 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide?
1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110107506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).