N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide

C17H17N5O2S — CID 71856738

IUPACN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCC(C)c1nnc(CNC(=O)c2cccnc2Oc2cccnc2)s1
InChIInChI=1S/C17H17N5O2S/c1-11(2)17-22-21-14(25-17)10-20-15(23)13-6-4-8-19-16(13)24-12-5-3-7-18-9-12/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyDTRZTRFNLOOVHE-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.17
Rot. Bonds6

About N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide

N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide (PubChem CID 71856738) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
PubChem CID71856738
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCC(C)c1nnc(CNC(=O)c2cccnc2Oc2cccnc2)s1
InChIInChI=1S/C17H17N5O2S/c1-11(2)17-22-21-14(25-17)10-20-15(23)13-6-4-8-19-16(13)24-12-5-3-7-18-9-12/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyDTRZTRFNLOOVHE-UHFFFAOYSA-N
XLogP3.17
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide with MolForge

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612035
N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 95286023
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 51130329
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 22170733
N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
CID 22612343
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide (CID 71856738) is N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide is CC(C)c1nnc(CNC(=O)c2cccnc2Oc2cccnc2)s1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The InChIKey is DTRZTRFNLOOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-11(2)17-22-21-14(25-17)10-20-15(23)13-6-4-8-19-16(13)24-12-5-3-7-18-9-12/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide is sourced from PubChem (CID 71856738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).