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

C16H27N5O — CID 118744932

IUPACN-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCC(C)NC(=O)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C16H27N5O/c1-13(2)18-16(22)21-11-14(9-19-6-3-4-7-19)10-20-8-5-17-15(20)12-21/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3,(H,18,22)
InChIKeyMBZYVYCKRDOVAB-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.53
Rot. Bonds3

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

N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 118744932) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID118744932
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCC(C)NC(=O)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C16H27N5O/c1-13(2)18-16(22)21-11-14(9-19-6-3-4-7-19)10-20-8-5-17-15(20)12-21/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3,(H,18,22)
InChIKeyMBZYVYCKRDOVAB-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 118744932) is N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is CC(C)NC(=O)N1Cc2nccn2CC(CN2CCCC2)C1.
What is the InChIKey of N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is MBZYVYCKRDOVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13(2)18-16(22)21-11-14(9-19-6-3-4-7-19)10-20-8-5-17-15(20)12-21/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3,(H,18,22).
What are the key properties of N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 118744932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).