2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C21H18N6O — CID 109371305

IUPAC2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccncc2)cc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H18N6O/c1-14-25-18(12-19(26-14)24-13-15-7-10-22-11-8-15)21(28)27-17-6-2-4-16-5-3-9-23-20(16)17/h2-12H,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyLZTYWXAMTQDPIR-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.59
Rot. Bonds5

About 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109371305) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109371305
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccncc2)cc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H18N6O/c1-14-25-18(12-19(26-14)24-13-15-7-10-22-11-8-15)21(28)27-17-6-2-4-16-5-3-9-23-20(16)17/h2-12H,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyLZTYWXAMTQDPIR-UHFFFAOYSA-N
XLogP3.59
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109370264
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369
N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371322
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109372303
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
2-methyl-6-(pyridin-4-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109371257
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
6-[(4-chlorophenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109119872

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109371305) is 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1nc(NCc2ccncc2)cc(C(=O)Nc2cccc3cccnc23)n1.
What is the InChIKey of 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is LZTYWXAMTQDPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-14-25-18(12-19(26-14)24-13-15-7-10-22-11-8-15)21(28)27-17-6-2-4-16-5-3-9-23-20(16)17/h2-12H,13H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).