N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C22H19N5O — CID 109304422

IUPACN-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C22H19N5O/c1-15-5-2-6-16(13-15)14-25-21(28)19-10-12-24-22(27-19)26-18-9-3-7-17-8-4-11-23-20(17)18/h2-13H,14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyHFUKBKNTHJQACU-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.01
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109304422) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109304422
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C22H19N5O/c1-15-5-2-6-16(13-15)14-25-21(28)19-10-12-24-22(27-19)26-18-9-3-7-17-8-4-11-23-20(17)18/h2-13H,14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyHFUKBKNTHJQACU-UHFFFAOYSA-N
XLogP4.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109307431
2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304398
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109210497
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304412
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
N-[(3-methylphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109304416
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109304422) is N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(Nc3cccc4cccnc34)n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HFUKBKNTHJQACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-5-2-6-16(13-15)14-25-21(28)19-10-12-24-22(27-19)26-18-9-3-7-17-8-4-11-23-20(17)18/h2-13H,14H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).