N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C16H23Cl2N5O4 — CID 120946354

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C16H21N5O4.2ClH/c1-8-4-10(14(23)18-6-9-5-17-7-11(9)22)19-13-12(8)15(24)21(3)16(25)20(13)2;;/h4,9,11,17,22H,5-7H2,1-3H3,(H,18,23);2*1H
InChIKeyDXBJLWRQVPOPRK-UHFFFAOYSA-N
MW420.30 g/mol
LogP-0.91
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 120946354) has the molecular formula C16H23Cl2N5O4 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID120946354
Molecular FormulaC16H23Cl2N5O4
Molecular Weight420.30 g/mol
Exact Mass419.11
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C16H21N5O4.2ClH/c1-8-4-10(14(23)18-6-9-5-17-7-11(9)22)19-13-12(8)15(24)21(3)16(25)20(13)2;;/h4,9,11,17,22H,5-7H2,1-3H3,(H,18,23);2*1H
InChIKeyDXBJLWRQVPOPRK-UHFFFAOYSA-N
XLogP-0.91
TPSA118.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1,3,5-trimethyl-2,4-dioxo-N-piperidin-3-ylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 119424751
N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119495332
N,1,3,5-tetramethyl-2,4-dioxo-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119441526
N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120943217
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120946320
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119597741
7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 122147903
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 120883227
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
1-tert-butyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 120946536
N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 166201771
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 120946354) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is Cc1cc(C(=O)NCC2CNCC2O)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is DXBJLWRQVPOPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4.2ClH/c1-8-4-10(14(23)18-6-9-5-17-7-11(9)22)19-13-12(8)15(24)21(3)16(25)20(13)2;;/h4,9,11,17,22H,5-7H2,1-3H3,(H,18,23);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 420.30 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 120946354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).