N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C16H23Cl2N5O3 — CID 119574889

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c2ccc(C(=O)NC(C)(CN)C3CC3)nc2n(C)c1=O
InChIInChI=1S/C16H21N5O3.2ClH/c1-16(8-17,9-4-5-9)19-13(22)11-7-6-10-12(18-11)20(2)15(24)21(3)14(10)23;;/h6-7,9H,4-5,8,17H2,1-3H3,(H,19,22);2*1H
InChIKeyUQRNBIYEPMBHAC-UHFFFAOYSA-N
MW404.30 g/mol
LogP0.33
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 119574889) has the molecular formula C16H23Cl2N5O3 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID119574889
Molecular FormulaC16H23Cl2N5O3
Molecular Weight404.30 g/mol
Exact Mass403.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(=O)c2ccc(C(=O)NC(C)(CN)C3CC3)nc2n(C)c1=O
InChIInChI=1S/C16H21N5O3.2ClH/c1-16(8-17,9-4-5-9)19-13(22)11-7-6-10-12(18-11)20(2)15(24)21(3)14(10)23;;/h6-7,9H,4-5,8,17H2,1-3H3,(H,19,22);2*1H
InChIKeyUQRNBIYEPMBHAC-UHFFFAOYSA-N
XLogP0.33
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119571068
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 119572796
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119611558
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119574835
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656
N-(1-adamantyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46597508
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 119574836
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81485764
N-[3-(2-methoxyethoxy)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55929786
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119597741

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 119574889) is N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is Cl.Cl.Cn1c(=O)c2ccc(C(=O)NC(C)(CN)C3CC3)nc2n(C)c1=O.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is UQRNBIYEPMBHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3.2ClH/c1-16(8-17,9-4-5-9)19-13(22)11-7-6-10-12(18-11)20(2)15(24)21(3)14(10)23;;/h6-7,9H,4-5,8,17H2,1-3H3,(H,19,22);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 404.30 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 119574889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).