1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C19H19N5O3 — CID 127252071

IUPAC1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCN(C(=O)c4ccncc4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H19N5O3/c1-22-16-14(18(26)23(2)19(22)27)3-4-15(21-16)13-7-10-24(11-13)17(25)12-5-8-20-9-6-12/h3-6,8-9,13H,7,10-11H2,1-2H3
InChIKeyVMPPGKWKAYRUJN-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.66
Rot. Bonds2

About 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 127252071) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID127252071
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCN(C(=O)c4ccncc4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H19N5O3/c1-22-16-14(18(26)23(2)19(22)27)3-4-15(21-16)13-7-10-24(11-13)17(25)12-5-8-20-9-6-12/h3-6,8-9,13H,7,10-11H2,1-2H3
InChIKeyVMPPGKWKAYRUJN-UHFFFAOYSA-N
XLogP0.66
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 127252071) is 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C3CCN(C(=O)c4ccncc4)C3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VMPPGKWKAYRUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-22-16-14(18(26)23(2)19(22)27)3-4-15(21-16)13-7-10-24(11-13)17(25)12-5-8-20-9-6-12/h3-6,8-9,13H,7,10-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 365.39 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 127252071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).