N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C17H18N4O5 — CID 47055040

IUPACN-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2ccc(C(=O)NCCCOCc3ccco3)nc21
InChIInChI=1S/C17H18N4O5/c1-21-14-12(15(22)20-17(21)24)5-6-13(19-14)16(23)18-7-3-8-25-10-11-4-2-9-26-11/h2,4-6,9H,3,7-8,10H2,1H3,(H,18,23)(H,20,22,24)
InChIKeyPGLPKAFQEIBSPC-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.55
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 47055040) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID47055040
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2ccc(C(=O)NCCCOCc3ccco3)nc21
InChIInChI=1S/C17H18N4O5/c1-21-14-12(15(22)20-17(21)24)5-6-13(19-14)16(23)18-7-3-8-25-10-11-4-2-9-26-11/h2,4-6,9H,3,7-8,10H2,1H3,(H,18,23)(H,20,22,24)
InChIKeyPGLPKAFQEIBSPC-UHFFFAOYSA-N
XLogP0.55
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
N-[3-(furan-2-ylmethoxy)propyl]-6-methoxyquinoline-2-carboxamide
CID 78833071
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 35994168
N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55929786
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30853289
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 47055040) is N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCCCOCc3ccco3)nc21.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is PGLPKAFQEIBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-21-14-12(15(22)20-17(21)24)5-6-13(19-14)16(23)18-7-3-8-25-10-11-4-2-9-26-11/h2,4-6,9H,3,7-8,10H2,1H3,(H,18,23)(H,20,22,24).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 47055040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).