N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride

C15H21Cl2N5O2 — CID 155972545

IUPACN-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCOc1c(NC(=O)c2cn3c(n2)CCNCC3)ccnc1C.Cl.Cl
InChIInChI=1S/C15H19N5O2.2ClH/c1-10-14(22-2)11(3-6-17-10)19-15(21)12-9-20-8-7-16-5-4-13(20)18-12;;/h3,6,9,16H,4-5,7-8H2,1-2H3,(H,17,19,21);2*1H
InChIKeySQLRLAHOSFSYPZ-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.84
Rot. Bonds3

About N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride

N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (PubChem CID 155972545) has the molecular formula C15H21Cl2N5O2 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
PubChem CID155972545
Molecular FormulaC15H21Cl2N5O2
Molecular Weight374.27 g/mol
Exact Mass373.11
IUPAC NameN-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCOc1c(NC(=O)c2cn3c(n2)CCNCC3)ccnc1C.Cl.Cl
InChIInChI=1S/C15H19N5O2.2ClH/c1-10-14(22-2)11(3-6-17-10)19-15(21)12-9-20-8-7-16-5-4-13(20)18-12;;/h3,6,9,16H,4-5,7-8H2,1-2H3,(H,17,19,21);2*1H
InChIKeySQLRLAHOSFSYPZ-UHFFFAOYSA-N
XLogP1.84
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (CID 155972545) is N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is COc1c(NC(=O)c2cn3c(n2)CCNCC3)ccnc1C.Cl.Cl.
What is the InChIKey of N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The InChIKey is SQLRLAHOSFSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.2ClH/c1-10-14(22-2)11(3-6-17-10)19-15(21)12-9-20-8-7-16-5-4-13(20)18-12;;/h3,6,9,16H,4-5,7-8H2,1-2H3,(H,17,19,21);2*1H.
What are the key properties of N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride has a molecular weight of 374.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 155972545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).