3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide

C24H25N5O4 — CID 90998405

IUPAC3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(CNC(=O)C2=Cc3c(n(C)c(=O)n(Cc4ccccc4)c3=O)N(C)C2)ccn1
InChIInChI=1S/C24H25N5O4/c1-27-15-18(21(30)26-13-17-9-10-25-20(11-17)33-3)12-19-22(27)28(2)24(32)29(23(19)31)14-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,26,30)
InChIKeyMTDZYVSHCPRLOH-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.15
Rot. Bonds6

About 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide

3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 90998405) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID90998405
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cc(CNC(=O)C2=Cc3c(n(C)c(=O)n(Cc4ccccc4)c3=O)N(C)C2)ccn1
InChIInChI=1S/C24H25N5O4/c1-27-15-18(21(30)26-13-17-9-10-25-20(11-17)33-3)12-19-22(27)28(2)24(32)29(23(19)31)14-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,26,30)
InChIKeyMTDZYVSHCPRLOH-UHFFFAOYSA-N
XLogP1.15
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 10322434
(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 91415877
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide
CID 10479234
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 90804236
6-[(3-fluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide;hydrochloride
CID 139993857
3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4,7-trioxo-8H-pyrimido[5,4-b][1,4]thiazine-6-carboxamide
CID 91204504
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 90998405) is 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide is COc1cc(CNC(=O)C2=Cc3c(n(C)c(=O)n(Cc4ccccc4)c3=O)N(C)C2)ccn1.
What is the InChIKey of 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MTDZYVSHCPRLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-27-15-18(21(30)26-13-17-9-10-25-20(11-17)33-3)12-19-22(27)28(2)24(32)29(23(19)31)14-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,26,30).
What are the key properties of 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide?
3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 90998405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).