N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C20H31N5O3 — CID 119607991

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)(CN)C(C)C)cc(C(C)C)nc21
InChIInChI=1S/C20H31N5O3/c1-7-8-25-16-15(18(27)23-19(25)28)13(9-14(22-16)11(2)3)17(26)24-20(6,10-21)12(4)5/h9,11-12H,7-8,10,21H2,1-6H3,(H,24,26)(H,23,27,28)
InChIKeyJOAXHLKRTZIDOZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.72
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 119607991) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID119607991
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)(CN)C(C)C)cc(C(C)C)nc21
InChIInChI=1S/C20H31N5O3/c1-7-8-25-16-15(18(27)23-19(25)28)13(9-14(22-16)11(2)3)17(26)24-20(6,10-21)12(4)5/h9,11-12H,7-8,10,21H2,1-6H3,(H,24,26)(H,23,27,28)
InChIKeyJOAXHLKRTZIDOZ-UHFFFAOYSA-N
XLogP1.72
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 119607991) is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)(CN)C(C)C)cc(C(C)C)nc21.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JOAXHLKRTZIDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-7-8-25-16-15(18(27)23-19(25)28)13(9-14(22-16)11(2)3)17(26)24-20(6,10-21)12(4)5/h9,11-12H,7-8,10,21H2,1-6H3,(H,24,26)(H,23,27,28).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 119607991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).