N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride

C17H25Cl2N5O4 — CID 120887385

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N5O4.2ClH/c1-22-13-12(15(24)21-16(22)25)7-11(8-19-13)14(23)20-9-17(10-26-2)3-5-18-6-4-17;;/h7-8,18H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,24,25);2*1H
InChIKeyVTCULPJMKMWNFR-UHFFFAOYSA-N
MW434.32 g/mol
LogP0.21
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (PubChem CID 120887385) has the molecular formula C17H25Cl2N5O4 and a molecular weight of 434.32 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
PubChem CID120887385
Molecular FormulaC17H25Cl2N5O4
Molecular Weight434.32 g/mol
Exact Mass433.13
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N5O4.2ClH/c1-22-13-12(15(24)21-16(22)25)7-11(8-19-13)14(23)20-9-17(10-26-2)3-5-18-6-4-17;;/h7-8,18H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,24,25);2*1H
InChIKeyVTCULPJMKMWNFR-UHFFFAOYSA-N
XLogP0.21
TPSA118.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 120896388
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120896389
N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 138044634
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 120887081
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120888271

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride (CID 120887385) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
The InChIKey is VTCULPJMKMWNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4.2ClH/c1-22-13-12(15(24)21-16(22)25)7-11(8-19-13)14(23)20-9-17(10-26-2)3-5-18-6-4-17;;/h7-8,18H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,24,25);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride has a molecular weight of 434.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 120887385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).