methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate

C21H22ClN5O3 — CID 23551842

IUPACmethyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)[nH]c3n2)CC1
InChIInChI=1S/C21H22ClN5O3/c1-30-21(29)25-14-8-6-13(7-9-14)24-20-23-11-12-10-16(19(28)26-18(12)27-20)15-4-2-3-5-17(15)22/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,29)(H2,23,24,26,27,28)
InChIKeyCSVKTXDPSJBDPZ-UHFFFAOYSA-N
MW427.89 g/mol
LogP3.72
Rot. Bonds4

About methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate

methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate (PubChem CID 23551842) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
PubChem CID23551842
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Namemethyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)[nH]c3n2)CC1
InChIInChI=1S/C21H22ClN5O3/c1-30-21(29)25-14-8-6-13(7-9-14)24-20-23-11-12-10-16(19(28)26-18(12)27-20)15-4-2-3-5-17(15)22/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,29)(H2,23,24,26,27,28)
InChIKeyCSVKTXDPSJBDPZ-UHFFFAOYSA-N
XLogP3.72
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate (CID 23551842) is methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate is COC(=O)NC1CCC(Nc2ncc3cc(-c4ccccc4Cl)c(=O)[nH]c3n2)CC1.
What is the InChIKey of methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate?
The InChIKey is CSVKTXDPSJBDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-30-21(29)25-14-8-6-13(7-9-14)24-20-23-11-12-10-16(19(28)26-18(12)27-20)15-4-2-3-5-17(15)22/h2-5,10-11,13-14H,6-9H2,1H3,(H,25,29)(H2,23,24,26,27,28).
What are the key properties of methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate?
methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate has a molecular weight of 427.89 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 23551842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).