N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide

C21H21N7O — CID 133316336

IUPACN-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCCc1cc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)n2ncnc2n1
InChIInChI=1S/C21H21N7O/c1-3-17-12-19(28-21(26-17)24-14-25-28)23-13-15-4-6-18(7-5-15)27(2)20(29)16-8-10-22-11-9-16/h4-12,14,23H,3,13H2,1-2H3
InChIKeyLBYKHAXKXRJNCK-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.97
Rot. Bonds6

About N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide

N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide (PubChem CID 133316336) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
PubChem CID133316336
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCCc1cc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)n2ncnc2n1
InChIInChI=1S/C21H21N7O/c1-3-17-12-19(28-21(26-17)24-14-25-28)23-13-15-4-6-18(7-5-15)27(2)20(29)16-8-10-22-11-9-16/h4-12,14,23H,3,13H2,1-2H3
InChIKeyLBYKHAXKXRJNCK-UHFFFAOYSA-N
XLogP2.97
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
CID 133287938
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
propan-2-yl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 133325494
N-[4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 137274748
N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316321
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 56815508
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide (CID 133316336) is N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide is CCc1cc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)n2ncnc2n1.
What is the InChIKey of N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
The InChIKey is LBYKHAXKXRJNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-3-17-12-19(28-21(26-17)24-14-25-28)23-13-15-4-6-18(7-5-15)27(2)20(29)16-8-10-22-11-9-16/h4-12,14,23H,3,13H2,1-2H3.
What are the key properties of N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 133316336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).