N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide

C19H20N4O3 — CID 134008986

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-5-4-6-8-13)9-16(24)21-14-10-15-17(20-11-14)22(2)19(26)23(3)18(15)25/h4-8,10-12H,9H2,1-3H3,(H,21,24)
InChIKeyOVWHUIMPYRELHP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.76
Rot. Bonds4

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide (PubChem CID 134008986) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
PubChem CID134008986
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-5-4-6-8-13)9-16(24)21-14-10-15-17(20-11-14)22(2)19(26)23(3)18(15)25/h4-8,10-12H,9H2,1-3H3,(H,21,24)
InChIKeyOVWHUIMPYRELHP-UHFFFAOYSA-N
XLogP1.76
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide (CID 134008986) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide is CC(CC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide?
The InChIKey is OVWHUIMPYRELHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(13-7-5-4-6-8-13)9-16(24)21-14-10-15-17(20-11-14)22(2)19(26)23(3)18(15)25/h4-8,10-12H,9H2,1-3H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide has a molecular weight of 352.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide is sourced from PubChem (CID 134008986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).