N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide

C19H17Cl2N3O3S — CID 22612343

IUPACN-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
SMILESCC(C)(O)c1cc(Cl)c(CNC(=O)c2cccnc2Oc2cncc(Cl)c2)s1
InChIInChI=1S/C19H17Cl2N3O3S/c1-19(2,26)16-7-14(21)15(28-16)10-24-17(25)13-4-3-5-23-18(13)27-12-6-11(20)8-22-9-12/h3-9,26H,10H2,1-2H3,(H,24,25)
InChIKeyGHSZBJZGMQQHNM-UHFFFAOYSA-N
MW438.34 g/mol
LogP4.79
Rot. Bonds6

About N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide

N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide (PubChem CID 22612343) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
PubChem CID22612343
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC NameN-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
SMILESCC(C)(O)c1cc(Cl)c(CNC(=O)c2cccnc2Oc2cncc(Cl)c2)s1
InChIInChI=1S/C19H17Cl2N3O3S/c1-19(2,26)16-7-14(21)15(28-16)10-24-17(25)13-4-3-5-23-18(13)27-12-6-11(20)8-22-9-12/h3-9,26H,10H2,1-2H3,(H,24,25)
InChIKeyGHSZBJZGMQQHNM-UHFFFAOYSA-N
XLogP4.79
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 71856738
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 10296916
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboximidamide
CID 64601185
N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612035
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 51130329
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 69207331
2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612119
2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
CID 90878947
2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-sulfonamide
CID 112573090

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide?
The IUPAC name of N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide (CID 22612343) is N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide is CC(C)(O)c1cc(Cl)c(CNC(=O)c2cccnc2Oc2cncc(Cl)c2)s1.
What is the InChIKey of N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide?
The InChIKey is GHSZBJZGMQQHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c1-19(2,26)16-7-14(21)15(28-16)10-24-17(25)13-4-3-5-23-18(13)27-12-6-11(20)8-22-9-12/h3-9,26H,10H2,1-2H3,(H,24,25).
What are the key properties of N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide?
N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide has a molecular weight of 438.34 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]methyl]-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 22612343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).