7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide

C19H22N6O3 — CID 23476572

IUPAC7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2c(C(C)(C)C)c(C(=O)Nc3cccnc3)c(N)nc2n(C)c1=O
InChIInChI=1S/C19H22N6O3/c1-19(2,3)13-11(16(26)22-10-7-6-8-21-9-10)14(20)23-15-12(13)17(27)25(5)18(28)24(15)4/h6-9H,1-5H3,(H2,20,23)(H,22,26)
InChIKeyXGDORBLEQZSASC-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.16
Rot. Bonds2

About 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23476572) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID23476572
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2c(C(C)(C)C)c(C(=O)Nc3cccnc3)c(N)nc2n(C)c1=O
InChIInChI=1S/C19H22N6O3/c1-19(2,3)13-11(16(26)22-10-7-6-8-21-9-10)14(20)23-15-12(13)17(27)25(5)18(28)24(15)4/h6-9H,1-5H3,(H2,20,23)(H,22,26)
InChIKeyXGDORBLEQZSASC-UHFFFAOYSA-N
XLogP1.16
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 23476572) is 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2c(C(C)(C)C)c(C(=O)Nc3cccnc3)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XGDORBLEQZSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-19(2,3)13-11(16(26)22-10-7-6-8-21-9-10)14(20)23-15-12(13)17(27)25(5)18(28)24(15)4/h6-9H,1-5H3,(H2,20,23)(H,22,26).
What are the key properties of 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23476572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).