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

C26H29N7O2 — CID 25059541

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)-N,N-dimethylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)C)Nc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1
InChIInChI=1S/C26H29N7O2/c1-17-5-7-23(19(11-17)13-27)33-10-9-21-20(15-33)26(30-16-29-21)31-22(12-25(34)32(2)3)18-6-8-24(35-4)28-14-18/h5-8,11,14,16,22H,9-10,12,15H2,1-4H3,(H,29,30,31)/t22-/m1/s1
InChIKeyZAQCLAWVZDLXFA-JOCHJYFZSA-N
MW471.57 g/mol
LogP3.25
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)-N,N-dimethylpropanamide

(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)-N,N-dimethylpropanamide (PubChem CID 25059541) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 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)-N,N-dimethylpropanamide.

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)-N,N-dimethylpropanamide
PubChem CID25059541
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
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)-N,N-dimethylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)C)Nc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1
InChIInChI=1S/C26H29N7O2/c1-17-5-7-23(19(11-17)13-27)33-10-9-21-20(15-33)26(30-16-29-21)31-22(12-25(34)32(2)3)18-6-8-24(35-4)28-14-18/h5-8,11,14,16,22H,9-10,12,15H2,1-4H3,(H,29,30,31)/t22-/m1/s1
InChIKeyZAQCLAWVZDLXFA-JOCHJYFZSA-N
XLogP3.25
TPSA107.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
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)-N,N-dimethylpropanamide 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)-N,N-dimethylpropanamide?
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)-N,N-dimethylpropanamide (CID 25059541) 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)-N,N-dimethylpropanamide.
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)-N,N-dimethylpropanamide?
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)-N,N-dimethylpropanamide is COc1ccc([C@@H](CC(=O)N(C)C)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)-N,N-dimethylpropanamide?
The InChIKey is ZAQCLAWVZDLXFA-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17-5-7-23(19(11-17)13-27)33-10-9-21-20(15-33)26(30-16-29-21)31-22(12-25(34)32(2)3)18-6-8-24(35-4)28-14-18/h5-8,11,14,16,22H,9-10,12,15H2,1-4H3,(H,29,30,31)/t22-/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)-N,N-dimethylpropanamide?
(3R)-3-[[6-(2-cyano-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)-N,N-dimethylpropanamide has a molecular weight of 471.57 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 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)-N,N-dimethylpropanamide is sourced from PubChem (CID 25059541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).