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

C19H20Cl2N6O2 — CID 16653386

IUPAC4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)nc2c1C(C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2
InChIInChI=1S/C19H20Cl2N6O2/c20-10-6-11(21)8-12(7-10)23-18(29)13-9-14(28)24-17-15(13)16(22)25-19(26-17)27-4-2-1-3-5-27/h6-8,13H,1-5,9H2,(H,23,29)(H3,22,24,25,26,28)
InChIKeyPBAFBKPWPQXHRX-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.42
Rot. Bonds3

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

4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 16653386) has the molecular formula C19H20Cl2N6O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-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-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID16653386
Molecular FormulaC19H20Cl2N6O2
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)nc2c1C(C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2
InChIInChI=1S/C19H20Cl2N6O2/c20-10-6-11(21)8-12(7-10)23-18(29)13-9-14(28)24-17-15(13)16(22)25-19(26-17)27-4-2-1-3-5-27/h6-8,13H,1-5,9H2,(H,23,29)(H3,22,24,25,26,28)
InChIKeyPBAFBKPWPQXHRX-UHFFFAOYSA-N
XLogP3.42
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-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-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 16653386) is 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-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-piperidin-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-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Nc1nc(N2CCCCC2)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-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PBAFBKPWPQXHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2/c20-10-6-11(21)8-12(7-10)23-18(29)13-9-14(28)24-17-15(13)16(22)25-19(26-17)27-4-2-1-3-5-27/h6-8,13H,1-5,9H2,(H,23,29)(H3,22,24,25,26,28).
What are the key properties of 4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 435.32 g/mol, XLogP of 3.42, 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-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 16653386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).