N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide

C20H21ClN6O3 — CID 87987131

IUPACN-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
SMILESNONC(=O)C1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)[nH]c3n2)CC1
InChIInChI=1S/C20H21ClN6O3/c21-16-4-2-1-3-14(16)15-9-12-10-23-20(26-17(12)25-19(15)29)24-13-7-5-11(6-8-13)18(28)27-30-22/h1-4,9-11,13H,5-8,22H2,(H,27,28)(H2,23,24,25,26,29)
InChIKeyJQKVVVACDDYYOB-UHFFFAOYSA-N
MW428.88 g/mol
LogP2.53
Rot. Bonds5

About N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide

N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 87987131) has the molecular formula C20H21ClN6O3 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID87987131
Molecular FormulaC20H21ClN6O3
Molecular Weight428.88 g/mol
Exact Mass428.14
IUPAC NameN-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
SMILESNONC(=O)C1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)[nH]c3n2)CC1
InChIInChI=1S/C20H21ClN6O3/c21-16-4-2-1-3-14(16)15-9-12-10-23-20(26-17(12)25-19(15)29)24-13-7-5-11(6-8-13)18(28)27-30-22/h1-4,9-11,13H,5-8,22H2,(H,27,28)(H2,23,24,25,26,29)
InChIKeyJQKVVVACDDYYOB-UHFFFAOYSA-N
XLogP2.53
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 23551842
2-[(6-benzyl-6-azabicyclo[3.1.1]heptan-3-yl)amino]-6-(2-chlorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 71013046
2-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)amino]-6-(2-chlorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 11640820
2-[(7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl)amino]-6-(2-chlorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 11641649
8-amino-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551749
[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
CID 162319048
2-[(1-acetylpiperidin-4-yl)amino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551756
sodium 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetic acid
CID 159289096
8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551682
6-(2-chlorophenyl)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;dichloromethane;methyl 4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 160650065
[4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea
CID 23551739
ethyl 4-[[6-(2-chlorophenyl)-7-oxo-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 23551832

Frequently Asked Questions

What is the IUPAC name of N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide (CID 87987131) is N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide is NONC(=O)C1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)[nH]c3n2)CC1.
What is the InChIKey of N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is JQKVVVACDDYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3/c21-16-4-2-1-3-14(16)15-9-12-10-23-20(26-17(12)25-19(15)29)24-13-7-5-11(6-8-13)18(28)27-30-22/h1-4,9-11,13H,5-8,22H2,(H,27,28)(H2,23,24,25,26,29).
What are the key properties of N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 87987131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).