N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride

C18H26ClN5O3 — CID 119629260

IUPACN-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)(C)N)cc(C3CC3)nc21.Cl
InChIInChI=1S/C18H25N5O3.ClH/c1-4-7-23-14-13(16(25)22-17(23)26)11(8-12(21-14)10-5-6-10)15(24)20-9-18(2,3)19;/h8,10H,4-7,9,19H2,1-3H3,(H,20,24)(H,22,25,26);1H
InChIKeyJZIVLOMNFQEZNY-UHFFFAOYSA-N
MW395.89 g/mol
LogP1.26
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 119629260) has the molecular formula C18H26ClN5O3 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
PubChem CID119629260
Molecular FormulaC18H26ClN5O3
Molecular Weight395.89 g/mol
Exact Mass395.17
IUPAC NameN-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)(C)N)cc(C3CC3)nc21.Cl
InChIInChI=1S/C18H25N5O3.ClH/c1-4-7-23-14-13(16(25)22-17(23)26)11(8-12(21-14)10-5-6-10)15(24)20-9-18(2,3)19;/h8,10H,4-7,9,19H2,1-3H3,(H,20,24)(H,22,25,26);1H
InChIKeyJZIVLOMNFQEZNY-UHFFFAOYSA-N
XLogP1.26
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride (CID 119629260) is N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)(C)N)cc(C3CC3)nc21.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is JZIVLOMNFQEZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3.ClH/c1-4-7-23-14-13(16(25)22-17(23)26)11(8-12(21-14)10-5-6-10)15(24)20-9-18(2,3)19;/h8,10H,4-7,9,19H2,1-3H3,(H,20,24)(H,22,25,26);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 395.89 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119629260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).