5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H21N7O2 — CID 32585817

IUPAC5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3ccnc(N4CCOCC4)c3)nc2n1
InChIInChI=1S/C18H21N7O2/c1-12-9-13(2)25-18(21-12)22-16(23-25)17(26)20-11-14-3-4-19-15(10-14)24-5-7-27-8-6-24/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,26)
InChIKeyHOEUKBGGGMEMPS-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.90
Rot. Bonds4

About 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 32585817) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID32585817
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3ccnc(N4CCOCC4)c3)nc2n1
InChIInChI=1S/C18H21N7O2/c1-12-9-13(2)25-18(21-12)22-16(23-25)17(26)20-11-14-3-4-19-15(10-14)24-5-7-27-8-6-24/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,26)
InChIKeyHOEUKBGGGMEMPS-UHFFFAOYSA-N
XLogP0.90
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
5,7-dimethyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121165941
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
1-(4-chlorophenyl)-6-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-4-oxopyridazine-3-carboxamide
CID 32586451
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 32585817) is 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCc3ccnc(N4CCOCC4)c3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HOEUKBGGGMEMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-9-13(2)25-18(21-12)22-16(23-25)17(26)20-11-14-3-4-19-15(10-14)24-5-7-27-8-6-24/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,26).
What are the key properties of 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 32585817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).