N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide

C16H22N6O2 — CID 56723579

IUPACN-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(=O)[nH]c1)c1nnc2n1CCNCC2
InChIInChI=1S/C16H22N6O2/c1-10(2)14(19-16(24)11-3-4-13(23)18-9-11)15-21-20-12-5-6-17-7-8-22(12)15/h3-4,9-10,14,17H,5-8H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyCNQLDPFYXWUSNZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.24
Rot. Bonds4

About N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56723579) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56723579
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(=O)[nH]c1)c1nnc2n1CCNCC2
InChIInChI=1S/C16H22N6O2/c1-10(2)14(19-16(24)11-3-4-13(23)18-9-11)15-21-20-12-5-6-17-7-8-22(12)15/h3-4,9-10,14,17H,5-8H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyCNQLDPFYXWUSNZ-UHFFFAOYSA-N
XLogP0.24
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56723579) is N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide is CC(C)C(NC(=O)c1ccc(=O)[nH]c1)c1nnc2n1CCNCC2.
What is the InChIKey of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CNQLDPFYXWUSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-10(2)14(19-16(24)11-3-4-13(23)18-9-11)15-21-20-12-5-6-17-7-8-22(12)15/h3-4,9-10,14,17H,5-8H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56723579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).