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

C23H29N5O4 — CID 135994693

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CC(C)CC(C)C3)[nH]c(=O)c21
InChIInChI=1S/C23H29N5O4/c1-12-5-6-17(32-4)16(8-12)24-21(30)15-9-18(29)25-20-19(15)22(31)27-23(26-20)28-10-13(2)7-14(3)11-28/h5-6,8,13-15H,7,9-11H2,1-4H3,(H,24,30)(H2,25,26,27,29,31)
InChIKeyBSYQFDZSVVEYNE-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.63
Rot. Bonds4

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

2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135994693) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135994693
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CC(C)CC(C)C3)[nH]c(=O)c21
InChIInChI=1S/C23H29N5O4/c1-12-5-6-17(32-4)16(8-12)24-21(30)15-9-18(29)25-20-19(15)22(31)27-23(26-20)28-10-13(2)7-14(3)11-28/h5-6,8,13-15H,7,9-11H2,1-4H3,(H,24,30)(H2,25,26,27,29,31)
InChIKeyBSYQFDZSVVEYNE-UHFFFAOYSA-N
XLogP2.63
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

(5R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875438
(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875564
N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994713
2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135993942
(5R)-N-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742675
(5S)-N-(2,5-dimethylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742728
(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
(5S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742696
(5R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-5-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742689
(5S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-5-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875443
N-(2-methoxyphenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135972514
2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994008

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135994693) is 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CC(C)CC(C)C3)[nH]c(=O)c21.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BSYQFDZSVVEYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-12-5-6-17(32-4)16(8-12)24-21(30)15-9-18(29)25-20-19(15)22(31)27-23(26-20)28-10-13(2)7-14(3)11-28/h5-6,8,13-15H,7,9-11H2,1-4H3,(H,24,30)(H2,25,26,27,29,31).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135994693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).