4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C18H18Cl2N6O2 — CID 43853924

IUPAC4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCC2)nc2c1C(C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2
InChIInChI=1S/C18H18Cl2N6O2/c19-9-5-10(20)7-11(6-9)22-17(28)12-8-13(27)23-16-14(12)15(21)24-18(25-16)26-3-1-2-4-26/h5-7,12H,1-4,8H2,(H,22,28)(H3,21,23,24,25,27)
InChIKeyWNHNUTVWJFRYCT-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.03
Rot. Bonds3

About 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 43853924) has the molecular formula C18H18Cl2N6O2 and a molecular weight of 421.29 g/mol. Its IUPAC name is 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID43853924
Molecular FormulaC18H18Cl2N6O2
Molecular Weight421.29 g/mol
Exact Mass420.09
IUPAC Name4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCC2)nc2c1C(C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2
InChIInChI=1S/C18H18Cl2N6O2/c19-9-5-10(20)7-11(6-9)22-17(28)12-8-13(27)23-16-14(12)15(21)24-18(25-16)26-3-1-2-4-26/h5-7,12H,1-4,8H2,(H,22,28)(H3,21,23,24,25,27)
InChIKeyWNHNUTVWJFRYCT-UHFFFAOYSA-N
XLogP3.03
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide 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 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 43853924) is 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Nc1nc(N2CCCC2)nc2c1C(C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2.
What is the InChIKey of 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WNHNUTVWJFRYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O2/c19-9-5-10(20)7-11(6-9)22-17(28)12-8-13(27)23-16-14(12)15(21)24-18(25-16)26-3-1-2-4-26/h5-7,12H,1-4,8H2,(H,22,28)(H3,21,23,24,25,27).
What are the key properties of 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 421.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 43853924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).