N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide

C24H28N4O3 — CID 23602542

IUPACN-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NC3CCCCC3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C24H28N4O3/c1-31-19-11-9-17(10-12-19)16-28-21(27-23-20(24(28)30)8-5-15-25-23)13-14-22(29)26-18-6-3-2-4-7-18/h5,8-12,15,18H,2-4,6-7,13-14,16H2,1H3,(H,26,29)
InChIKeyDJMOBKMRDFZMBJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.23
Rot. Bonds7

About N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide

N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide (PubChem CID 23602542) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
PubChem CID23602542
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NC3CCCCC3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C24H28N4O3/c1-31-19-11-9-17(10-12-19)16-28-21(27-23-20(24(28)30)8-5-15-25-23)13-14-22(29)26-18-6-3-2-4-7-18/h5,8-12,15,18H,2-4,6-7,13-14,16H2,1H3,(H,26,29)
InChIKeyDJMOBKMRDFZMBJ-UHFFFAOYSA-N
XLogP3.23
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 23602540
3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 23602521
N-cyclopentyl-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 126456884
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
N-cycloheptyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CID 6622915
N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360158
2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 42983606
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide (CID 23602542) is N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide is COc1ccc(Cn2c(CCC(=O)NC3CCCCC3)nc3ncccc3c2=O)cc1.
What is the InChIKey of N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
The InChIKey is DJMOBKMRDFZMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-31-19-11-9-17(10-12-19)16-28-21(27-23-20(24(28)30)8-5-15-25-23)13-14-22(29)26-18-6-3-2-4-7-18/h5,8-12,15,18H,2-4,6-7,13-14,16H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide?
N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide has a molecular weight of 420.51 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 23602542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).