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

C21H23Cl2N5O3 — CID 135993991

IUPACN-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC1CCCC(C)N1c1nc2c(c(=O)[nH]1)C(C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2
InChIInChI=1S/C21H23Cl2N5O3/c1-10-4-3-5-11(2)28(10)21-26-18-17(20(31)27-21)13(9-16(29)25-18)19(30)24-15-8-12(22)6-7-14(15)23/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,24,30)(H2,25,26,27,29,31)
InChIKeyQXLBPSJCRBPYQW-UHFFFAOYSA-N
MW464.35 g/mol
LogP3.91
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135993991) has the molecular formula C21H23Cl2N5O3 and a molecular weight of 464.35 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135993991
Molecular FormulaC21H23Cl2N5O3
Molecular Weight464.35 g/mol
Exact Mass463.12
IUPAC NameN-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC1CCCC(C)N1c1nc2c(c(=O)[nH]1)C(C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2
InChIInChI=1S/C21H23Cl2N5O3/c1-10-4-3-5-11(2)28(10)21-26-18-17(20(31)27-21)13(9-16(29)25-18)19(30)24-15-8-12(22)6-7-14(15)23/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,24,30)(H2,25,26,27,29,31)
InChIKeyQXLBPSJCRBPYQW-UHFFFAOYSA-N
XLogP3.91
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994105
N-(3,4-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135993950
(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-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875696
(5R)-N-(2,5-dichlorophenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028164
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994670
(5R)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896731
(5S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896760
(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)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896757
(5R)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-N-(3-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137101832
(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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135993991) is N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CC1CCCC(C)N1c1nc2c(c(=O)[nH]1)C(C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QXLBPSJCRBPYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O3/c1-10-4-3-5-11(2)28(10)21-26-18-17(20(31)27-21)13(9-16(29)25-18)19(30)24-15-8-12(22)6-7-14(15)23/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,24,30)(H2,25,26,27,29,31).
What are the key properties of N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 464.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135993991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).