6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

C16H29N5O — CID 131663724

IUPAC6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCC(C)NC(=O)N1Cc2nccn2CC(CN(C)C(C)C)C1
InChIInChI=1S/C16H29N5O/c1-12(2)18-16(22)21-10-14(8-19(5)13(3)4)9-20-7-6-17-15(20)11-21/h6-7,12-14H,8-11H2,1-5H3,(H,18,22)
InChIKeyUBKIJZVVIJCPDF-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.77
Rot. Bonds4

About 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 131663724) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID131663724
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCC(C)NC(=O)N1Cc2nccn2CC(CN(C)C(C)C)C1
InChIInChI=1S/C16H29N5O/c1-12(2)18-16(22)21-10-14(8-19(5)13(3)4)9-20-7-6-17-15(20)11-21/h6-7,12-14H,8-11H2,1-5H3,(H,18,22)
InChIKeyUBKIJZVVIJCPDF-UHFFFAOYSA-N
XLogP1.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680
N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 53504539
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
CID 53515125
[1-Oxo-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-2-yl]urea
CID 56778643
N-(3-imidazol-1-ylpropyl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877025
N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118740932
N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118741152
N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 118744932
N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 118744938
Pyrrolidin-1-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 118745380
Tert-butyl 6-(aminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxylate
CID 71305814
tert-butyl 6-amino-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carboxylate
CID 137946054

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 131663724) is 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is CC(C)NC(=O)N1Cc2nccn2CC(CN(C)C(C)C)C1.
What is the InChIKey of 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is UBKIJZVVIJCPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12(2)18-16(22)21-10-14(8-19(5)13(3)4)9-20-7-6-17-15(20)11-21/h6-7,12-14H,8-11H2,1-5H3,(H,18,22).
What are the key properties of 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 131663724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).