N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C18H25N5O2 — CID 70782733

IUPACN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)c3ccc[nH]c3=O)cc2C1
InChIInChI=1S/C18H25N5O2/c1-13(2)11-22-7-4-8-23-15(12-22)9-14(21-23)10-20-18(25)16-5-3-6-19-17(16)24/h3,5-6,9,13H,4,7-8,10-12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyANLMIWAXRPCFKR-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.36
Rot. Bonds5

About N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70782733) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70782733
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)c3ccc[nH]c3=O)cc2C1
InChIInChI=1S/C18H25N5O2/c1-13(2)11-22-7-4-8-23-15(12-22)9-14(21-23)10-20-18(25)16-5-3-6-19-17(16)24/h3,5-6,9,13H,4,7-8,10-12H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyANLMIWAXRPCFKR-UHFFFAOYSA-N
XLogP1.36
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 70782733) is N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CC(C)CN1CCCn2nc(CNC(=O)c3ccc[nH]c3=O)cc2C1.
What is the InChIKey of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ANLMIWAXRPCFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)11-22-7-4-8-23-15(12-22)9-14(21-23)10-20-18(25)16-5-3-6-19-17(16)24/h3,5-6,9,13H,4,7-8,10-12H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70782733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).