(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide

C24H25N7O2 — CID 25059292

IUPAC(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc([C@@H](CC(N)=O)Nc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1
InChIInChI=1S/C24H25N7O2/c1-15-3-5-21(17(9-15)11-25)31-8-7-19-18(13-31)24(29-14-28-19)30-20(10-22(26)32)16-4-6-23(33-2)27-12-16/h3-6,9,12,14,20H,7-8,10,13H2,1-2H3,(H2,26,32)(H,28,29,30)/t20-/m1/s1
InChIKeyCVUALUCLSVYHKA-HXUWFJFHSA-N
MW443.51 g/mol
LogP2.65
Rot. Bonds7

About (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide

(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 25059292) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide
PubChem CID25059292
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc([C@@H](CC(N)=O)Nc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1
InChIInChI=1S/C24H25N7O2/c1-15-3-5-21(17(9-15)11-25)31-8-7-19-18(13-31)24(29-14-28-19)30-20(10-22(26)32)16-4-6-23(33-2)27-12-16/h3-6,9,12,14,20H,7-8,10,13H2,1-2H3,(H2,26,32)(H,28,29,30)/t20-/m1/s1
InChIKeyCVUALUCLSVYHKA-HXUWFJFHSA-N
XLogP2.65
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide (CID 25059292) is (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide is COc1ccc([C@@H](CC(N)=O)Nc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1.
What is the InChIKey of (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is CVUALUCLSVYHKA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-15-3-5-21(17(9-15)11-25)31-8-7-19-18(13-31)24(29-14-28-19)30-20(10-22(26)32)16-4-6-23(33-2)27-12-16/h3-6,9,12,14,20H,7-8,10,13H2,1-2H3,(H2,26,32)(H,28,29,30)/t20-/m1/s1.
What are the key properties of (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide?
(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 443.51 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 25059292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).