N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide

C16H27N5O — CID 97466967

IUPACN-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
SMILESCN(C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)CC2
InChIInChI=1S/C16H27N5O/c1-19(2)12-14-11-17-15-7-8-20(9-10-21(14)15)16(22)18-13-5-3-4-6-13/h11,13H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyOLRYSUAANKBMLF-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.46
Rot. Bonds3

About N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide

N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide (PubChem CID 97466967) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
PubChem CID97466967
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
SMILESCN(C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)CC2
InChIInChI=1S/C16H27N5O/c1-19(2)12-14-11-17-15-7-8-20(9-10-21(14)15)16(22)18-13-5-3-4-6-13/h11,13H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyOLRYSUAANKBMLF-UHFFFAOYSA-N
XLogP1.46
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide (CID 97466967) is N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide is CN(C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)CC2.
What is the InChIKey of N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The InChIKey is OLRYSUAANKBMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19(2)12-14-11-17-15-7-8-20(9-10-21(14)15)16(22)18-13-5-3-4-6-13/h11,13H,3-10,12H2,1-2H3,(H,18,22).
What are the key properties of N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 97466967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).