1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide

C19H21N5O3 — CID 47049882

IUPAC1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H21N5O3/c1-12(2)24(11-13-6-5-9-20-10-13)18(26)15-8-7-14-16(21-15)22(3)19(27)23(4)17(14)25/h5-10,12H,11H2,1-4H3
InChIKeyRNJYZENYBRGRGM-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.08
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 47049882) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID47049882
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H21N5O3/c1-12(2)24(11-13-6-5-9-20-10-13)18(26)15-8-7-14-16(21-15)22(3)19(27)23(4)17(14)25/h5-10,12H,11H2,1-4H3
InChIKeyRNJYZENYBRGRGM-UHFFFAOYSA-N
XLogP1.08
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700
N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580510
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 51950219
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 47049882) is 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide is CC(C)N(Cc1cccnc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is RNJYZENYBRGRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(2)24(11-13-6-5-9-20-10-13)18(26)15-8-7-14-16(21-15)22(3)19(27)23(4)17(14)25/h5-10,12H,11H2,1-4H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 47049882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).