N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C21H21N5O5 — CID 55616049

IUPACN-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCn1c(=O)c2cc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cnc2n(C)c1=O
InChIInChI=1S/C21H21N5O5/c1-25-18-16(20(29)26(2)21(25)30)9-14(10-22-18)23-17(27)11-31-15-5-3-4-13(8-15)24-19(28)12-6-7-12/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyOCPUIFDJIAXDJF-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.00
Rot. Bonds6

About N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55616049) has the molecular formula C21H21N5O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55616049
Molecular FormulaC21H21N5O5
Molecular Weight423.43 g/mol
Exact Mass423.15
IUPAC NameN-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCn1c(=O)c2cc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cnc2n(C)c1=O
InChIInChI=1S/C21H21N5O5/c1-25-18-16(20(29)26(2)21(25)30)9-14(10-22-18)23-17(27)11-31-15-5-3-4-13(8-15)24-19(28)12-6-7-12/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyOCPUIFDJIAXDJF-UHFFFAOYSA-N
XLogP1.00
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 48526400
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55456695
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)oxolane-2-carboxamide
CID 134009005
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)piperidine-2-carboxamide
CID 119837919

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55616049) is N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is Cn1c(=O)c2cc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cnc2n(C)c1=O.
What is the InChIKey of N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is OCPUIFDJIAXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5/c1-25-18-16(20(29)26(2)21(25)30)9-14(10-22-18)23-17(27)11-31-15-5-3-4-13(8-15)24-19(28)12-6-7-12/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 423.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55616049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).