9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide

C18H26N6O3 — CID 118767465

IUPAC9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NC(C)c1nncn1C(C)C)CCNCC2
InChIInChI=1S/C18H26N6O3/c1-11(2)24-10-20-22-17(24)12(3)21-18(26)16-13-5-6-19-7-8-23(13)15(25)9-14(16)27-4/h9-12,19H,5-8H2,1-4H3,(H,21,26)
InChIKeySAGPWSDMNNPNGB-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.67
Rot. Bonds5

About 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide

9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 118767465) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

Compound Name9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
PubChem CID118767465
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NC(C)c1nncn1C(C)C)CCNCC2
InChIInChI=1S/C18H26N6O3/c1-11(2)24-10-20-22-17(24)12(3)21-18(26)16-13-5-6-19-7-8-23(13)15(25)9-14(16)27-4/h9-12,19H,5-8H2,1-4H3,(H,21,26)
InChIKeySAGPWSDMNNPNGB-UHFFFAOYSA-N
XLogP0.67
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide with MolForge

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Related Compounds

N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 118759010
4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172668009
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56889674
9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride
CID 154901633
9-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 131942055
3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131921930
N-(3,4-dimethoxyphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904425
N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-[(2,3,6-trifluorophenyl)methyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 45165793
3-(2-chloropyridine-4-carbonyl)-N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 45167372
2-(2-oxo-1-pyridinyl)-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 126450812
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118767768
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyrimidin-5-ylbenzamide
CID 119066722

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
The IUPAC name of 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide (CID 118767465) is 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide.
What is the SMILES notation for 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
The canonical SMILES for 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1cc(=O)n2c(c1C(=O)NC(C)c1nncn1C(C)C)CCNCC2.
What is the InChIKey of 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
The InChIKey is SAGPWSDMNNPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-11(2)24-10-20-22-17(24)12(3)21-18(26)16-13-5-6-19-7-8-23(13)15(25)9-14(16)27-4/h9-12,19H,5-8H2,1-4H3,(H,21,26).
What are the key properties of 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 118767465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).