4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide

C17H24N4O2 — CID 86803037

IUPAC4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1cncc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C17H24N4O2/c1-13-9-14(11-18-10-13)12-19-17(23)21-6-2-5-20(7-8-21)16(22)15-3-4-15/h9-11,15H,2-8,12H2,1H3,(H,19,23)
InChIKeyREYBZOQDABJEKQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.54
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 86803037) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID86803037
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1cncc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C17H24N4O2/c1-13-9-14(11-18-10-13)12-19-17(23)21-6-2-5-20(7-8-21)16(22)15-3-4-15/h9-11,15H,2-8,12H2,1H3,(H,19,23)
InChIKeyREYBZOQDABJEKQ-UHFFFAOYSA-N
XLogP1.54
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 86802855
3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 102881036
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 70744863
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 122565100
4-(cyclopropanecarbonyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86802718
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
1-N,4-N-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide
CID 30886315

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide (CID 86803037) is 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide is Cc1cncc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is REYBZOQDABJEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-9-14(11-18-10-13)12-19-17(23)21-6-2-5-20(7-8-21)16(22)15-3-4-15/h9-11,15H,2-8,12H2,1H3,(H,19,23).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 86803037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).