7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

C24H24ClN5O2 — CID 58970453

IUPAC7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(NCCc2cccc(OC)c2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H24ClN5O2/c1-3-32-15-21-29-23(27-13-11-16-6-4-7-17(14-16)31-2)18-9-10-20(28-24(18)30-21)22-19(25)8-5-12-26-22/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,27,28,29,30)
InChIKeyDXJXILQEAJNVGI-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.94
Rot. Bonds9

About 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 58970453) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID58970453
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(NCCc2cccc(OC)c2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H24ClN5O2/c1-3-32-15-21-29-23(27-13-11-16-6-4-7-17(14-16)31-2)18-9-10-20(28-24(18)30-21)22-19(25)8-5-12-26-22/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,27,28,29,30)
InChIKeyDXJXILQEAJNVGI-UHFFFAOYSA-N
XLogP4.94
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10005778
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
N-[2-(2-chlorophenyl)ethyl]-2-methyl-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 11610793
2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11237732
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 58970453) is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is CCOCc1nc(NCCc2cccc(OC)c2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is DXJXILQEAJNVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-3-32-15-21-29-23(27-13-11-16-6-4-7-17(14-16)31-2)18-9-10-20(28-24(18)30-21)22-19(25)8-5-12-26-22/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,27,28,29,30).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 449.94 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58970453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).