N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C24H35N5O — CID 7373755

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)c1nc(C)nc2c1CN(C(=O)Nc1c(C(C)C)cccc1C(C)C)CC2
InChIInChI=1S/C24H35N5O/c1-8-28(7)23-20-14-29(13-12-21(20)25-17(6)26-23)24(30)27-22-18(15(2)3)10-9-11-19(22)16(4)5/h9-11,15-16H,8,12-14H2,1-7H3,(H,27,30)
InChIKeySDWLVYAUBXXREL-UHFFFAOYSA-N
MW409.58 g/mol
LogP5.08
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7373755) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID7373755
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)c1nc(C)nc2c1CN(C(=O)Nc1c(C(C)C)cccc1C(C)C)CC2
InChIInChI=1S/C24H35N5O/c1-8-28(7)23-20-14-29(13-12-21(20)25-17(6)26-23)24(30)27-22-18(15(2)3)10-9-11-19(22)16(4)5/h9-11,15-16H,8,12-14H2,1-7H3,(H,27,30)
InChIKeySDWLVYAUBXXREL-UHFFFAOYSA-N
XLogP5.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)amino]-N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7415075
4-[ethyl(methyl)amino]-N-(4-ethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7328435
4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7288527
N-(2,4-dimethylphenyl)-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7301452
N-(2,6-dichlorophenyl)-4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7416186
1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone
CID 7271303
(2S)-1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 7413029
N-(2,3-dimethylphenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7218489
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7412301
4-[ethyl(methyl)amino]-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7327023
N-benzyl-4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7288433
N-cyclohexyl-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7271673

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7373755) is N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCN(C)c1nc(C)nc2c1CN(C(=O)Nc1c(C(C)C)cccc1C(C)C)CC2.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is SDWLVYAUBXXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-8-28(7)23-20-14-29(13-12-21(20)25-17(6)26-23)24(30)27-22-18(15(2)3)10-9-11-19(22)16(4)5/h9-11,15-16H,8,12-14H2,1-7H3,(H,27,30).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7373755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).