N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C18H17Cl2N5O3 — CID 135994705

IUPACN-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(N3CCCC3)[nH]c2=O)N1
InChIInChI=1S/C18H17Cl2N5O3/c19-9-5-10(20)7-11(6-9)21-16(27)12-8-13(26)22-15-14(12)17(28)24-18(23-15)25-3-1-2-4-25/h5-7,12H,1-4,8H2,(H,21,27)(H2,22,23,24,26,28)
InChIKeyDCFXOCVTFPLMGX-UHFFFAOYSA-N
MW422.27 g/mol
LogP2.74
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135994705) has the molecular formula C18H17Cl2N5O3 and a molecular weight of 422.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135994705
Molecular FormulaC18H17Cl2N5O3
Molecular Weight422.27 g/mol
Exact Mass421.07
IUPAC NameN-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(N3CCCC3)[nH]c2=O)N1
InChIInChI=1S/C18H17Cl2N5O3/c19-9-5-10(20)7-11(6-9)21-16(27)12-8-13(26)22-15-14(12)17(28)24-18(23-15)25-3-1-2-4-25/h5-7,12H,1-4,8H2,(H,21,27)(H2,22,23,24,26,28)
InChIKeyDCFXOCVTFPLMGX-UHFFFAOYSA-N
XLogP2.74
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994746
(5R)-N-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137027993
(5R)-N-(2,5-dichlorophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886007
(5S)-N-(3,5-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875674
dimethyl 5-[[(5S)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135937709
(5S)-2-(4-carbamoylpiperidin-1-yl)-N-(3-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135894903
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
(5S)-N-(5-chloro-2-methoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875855
(5R)-N-(3-chlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137027956
(5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886246
4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653386
(5S)-4,7-dioxo-2-piperidin-1-yl-N-(4-prop-1-en-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136905653

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135994705) is N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is O=C1CC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(N3CCCC3)[nH]c2=O)N1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DCFXOCVTFPLMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O3/c19-9-5-10(20)7-11(6-9)21-16(27)12-8-13(26)22-15-14(12)17(28)24-18(23-15)25-3-1-2-4-25/h5-7,12H,1-4,8H2,(H,21,27)(H2,22,23,24,26,28).
What are the key properties of N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 422.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135994705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).