1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide

C17H21N9O — CID 122315557

IUPAC1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)c3cn(C)nn3)nc(C)n2)c1
InChIInChI=1S/C17H21N9O/c1-11-4-5-18-14(8-11)23-16-9-15(21-12(2)22-16)19-6-7-20-17(27)13-10-26(3)25-24-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,27)(H2,18,19,21,22,23)
InChIKeyWQAVJYVMAUNMLP-UHFFFAOYSA-N
MW367.42 g/mol
LogP1.20
Rot. Bonds7

About 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide

1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide (PubChem CID 122315557) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide
PubChem CID122315557
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)c3cn(C)nn3)nc(C)n2)c1
InChIInChI=1S/C17H21N9O/c1-11-4-5-18-14(8-11)23-16-9-15(21-12(2)22-16)19-6-7-20-17(27)13-10-26(3)25-24-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,27)(H2,18,19,21,22,23)
InChIKeyWQAVJYVMAUNMLP-UHFFFAOYSA-N
XLogP1.20
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide
CID 122315497
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-methyltriazole-4-carboxamide
CID 122293636
2,4-dichloro-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315358
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]thiophene-3-carboxamide
CID 122315488
2-(difluoromethylsulfanyl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315569
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenoxyacetamide
CID 122315365
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-4-nitrobenzamide
CID 122315740
4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315371
4-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122315391
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122315627
1-(2-methoxyphenyl)-3-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122315423

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide (CID 122315557) is 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide is Cc1ccnc(Nc2cc(NCCNC(=O)c3cn(C)nn3)nc(C)n2)c1.
What is the InChIKey of 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide?
The InChIKey is WQAVJYVMAUNMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O/c1-11-4-5-18-14(8-11)23-16-9-15(21-12(2)22-16)19-6-7-20-17(27)13-10-26(3)25-24-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,27)(H2,18,19,21,22,23).
What are the key properties of 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide?
1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 122315557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).