N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide

C16H26N4O3 — CID 118759010

IUPACN-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCCCN(C)C)CCNCC2
InChIInChI=1S/C16H26N4O3/c1-19(2)9-4-6-18-16(22)15-12-5-7-17-8-10-20(12)14(21)11-13(15)23-3/h11,17H,4-10H2,1-3H3,(H,18,22)
InChIKeyYTVIVHQYKOMVBX-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.32
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 118759010) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
PubChem CID118759010
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCCCN(C)C)CCNCC2
InChIInChI=1S/C16H26N4O3/c1-19(2)9-4-6-18-16(22)15-12-5-7-17-8-10-20(12)14(21)11-13(15)23-3/h11,17H,4-10H2,1-3H3,(H,18,22)
InChIKeyYTVIVHQYKOMVBX-UHFFFAOYSA-N
XLogP-0.32
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

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
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
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 171146330
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
2-(2-methylpropoxy)-4-oxo-N-(3-piperidin-1-ylpropyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91904559
N-[3-(dimethylamino)propyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585476
2-methoxy-4-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 122172141
4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 54675898
9-methoxy-N-(3-methylbutyl)-7-oxo-3-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 45213993

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
The IUPAC name of 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) is N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1cc(=O)n2c(c1C(=O)NCCCN(C)C)CCNCC2.
What is the InChIKey of N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
The InChIKey is YTVIVHQYKOMVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-19(2)9-4-6-18-16(22)15-12-5-7-17-8-10-20(12)14(21)11-13(15)23-3/h11,17H,4-10H2,1-3H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide?
N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 118759010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).