2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

C18H19N7O2 — CID 47041480

IUPAC2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)nc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C18H19N7O2/c26-18(15-2-1-5-20-17(15)24-6-8-27-9-7-24)22-11-14-3-4-16(21-10-14)25-13-19-12-23-25/h1-5,10,12-13H,6-9,11H2,(H,22,26)
InChIKeyRKLHRRKWWVSGPO-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.82
Rot. Bonds5

About 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 47041480) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID47041480
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)nc1)c1cccnc1N1CCOCC1
InChIInChI=1S/C18H19N7O2/c26-18(15-2-1-5-20-17(15)24-6-8-27-9-7-24)22-11-14-3-4-16(21-10-14)25-13-19-12-23-25/h1-5,10,12-13H,6-9,11H2,(H,22,26)
InChIKeyRKLHRRKWWVSGPO-UHFFFAOYSA-N
XLogP0.82
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 95124262
2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30357957
N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide
CID 47057346
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991
4-oxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036236
N-[[3-(difluoromethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 49336379
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 47041480) is 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(-n2cncn2)nc1)c1cccnc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is RKLHRRKWWVSGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c26-18(15-2-1-5-20-17(15)24-6-8-27-9-7-24)22-11-14-3-4-16(21-10-14)25-13-19-12-23-25/h1-5,10,12-13H,6-9,11H2,(H,22,26).
What are the key properties of 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).