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

C21H24ClN5O3 — CID 135994105

IUPACN-(2-chlorophenyl)-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)Nc1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C21H24ClN5O3/c1-11-6-5-7-12(2)27(11)21-25-18-17(20(30)26-21)13(10-16(28)24-18)19(29)23-15-9-4-3-8-14(15)22/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,23,29)(H2,24,25,26,28,30)
InChIKeyUCQLWLTZGDCSRX-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.26
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135994105) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-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-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135994105
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC NameN-(2-chlorophenyl)-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)Nc1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C21H24ClN5O3/c1-11-6-5-7-12(2)27(11)21-25-18-17(20(30)26-21)13(10-16(28)24-18)19(29)23-15-9-4-3-8-14(15)22/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,23,29)(H2,24,25,26,28,30)
InChIKeyUCQLWLTZGDCSRX-UHFFFAOYSA-N
XLogP3.26
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-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-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135994105) is N-(2-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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)Nc1ccccc1Cl)CC(=O)N2.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UCQLWLTZGDCSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-11-6-5-7-12(2)27(11)21-25-18-17(20(30)26-21)13(10-16(28)24-18)19(29)23-15-9-4-3-8-14(15)22/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,23,29)(H2,24,25,26,28,30).
What are the key properties of N-(2-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-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 429.91 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-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 135994105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).