5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide

C18H18N6O2 — CID 138989510

IUPAC5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H18N6O2/c25-18(14-9-16(11-19-10-14)24-4-6-26-7-5-24)22-15-3-1-2-13(8-15)17-20-12-21-23-17/h1-3,8-12H,4-7H2,(H,22,25)(H,20,21,23)
InChIKeyTUITZSGQIBKLLL-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.96
Rot. Bonds4

About 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide

5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 138989510) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
PubChem CID138989510
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H18N6O2/c25-18(14-9-16(11-19-10-14)24-4-6-26-7-5-24)22-15-3-1-2-13(8-15)17-20-12-21-23-17/h1-3,8-12H,4-7H2,(H,22,25)(H,20,21,23)
InChIKeyTUITZSGQIBKLLL-UHFFFAOYSA-N
XLogP1.96
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
6-morpholin-4-yl-N-[3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 24788780
N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238727
N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109237578
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
N-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103815
5-(6-morpholin-4-yl-3-pyridinyl)-N-phenylpyridine-3-carboxamide
CID 117089330

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide (CID 138989510) is 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2ncn[nH]2)c1)c1cncc(N2CCOCC2)c1.
What is the InChIKey of 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is TUITZSGQIBKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18(14-9-16(11-19-10-14)24-4-6-26-7-5-24)22-15-3-1-2-13(8-15)17-20-12-21-23-17/h1-3,8-12H,4-7H2,(H,22,25)(H,20,21,23).
What are the key properties of 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 138989510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).