1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C21H19N5O3 — CID 36768989

IUPAC1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C21H19N5O3/c27-19(22-8-7-12-10-23-17-4-2-1-3-15(12)17)13-9-16-18(24-11-13)26(14-5-6-14)21(29)25-20(16)28/h1-4,9-11,14,23H,5-8H2,(H,22,27)(H,25,28,29)
InChIKeyQLIBWZULULOJTG-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.87
Rot. Bonds5

About 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36768989) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36768989
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C21H19N5O3/c27-19(22-8-7-12-10-23-17-4-2-1-3-15(12)17)13-9-16-18(24-11-13)26(14-5-6-14)21(29)25-20(16)28/h1-4,9-11,14,23H,5-8H2,(H,22,27)(H,25,28,29)
InChIKeyQLIBWZULULOJTG-UHFFFAOYSA-N
XLogP1.87
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552138
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
1-cyclopropyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55835510
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065091
1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 52710894
1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 36768989) is 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QLIBWZULULOJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-19(22-8-7-12-10-23-17-4-2-1-3-15(12)17)13-9-16-18(24-11-13)26(14-5-6-14)21(29)25-20(16)28/h1-4,9-11,14,23H,5-8H2,(H,22,27)(H,25,28,29).
What are the key properties of 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36768989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).