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

C24H23N5O3 — CID 23602540

IUPAC3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3ccccn3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C24H23N5O3/c1-32-19-9-7-17(8-10-19)16-29-21(28-23-20(24(29)31)6-4-14-26-23)11-12-22(30)27-15-18-5-2-3-13-25-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30)
InChIKeySYJDGMHXMDTHKG-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.49
Rot. Bonds8

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

3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 23602540) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID23602540
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3ccccn3)nc3ncccc3c2=O)cc1
InChIInChI=1S/C24H23N5O3/c1-32-19-9-7-17(8-10-19)16-29-21(28-23-20(24(29)31)6-4-14-26-23)11-12-22(30)27-15-18-5-2-3-13-25-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30)
InChIKeySYJDGMHXMDTHKG-UHFFFAOYSA-N
XLogP2.49
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]propanamide
CID 23602542
3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 23602521
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]-3-phenylpropanamide
CID 71706166
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 23602540) is 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide is COc1ccc(Cn2c(CCC(=O)NCc3ccccn3)nc3ncccc3c2=O)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is SYJDGMHXMDTHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-32-19-9-7-17(8-10-19)16-29-21(28-23-20(24(29)31)6-4-14-26-23)11-12-22(30)27-15-18-5-2-3-13-25-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30).
What are the key properties of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 429.48 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 23602540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).