N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide

C15H17N3O2S — CID 111970532

IUPACN-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C15H17N3O2S/c19-14(17-10-15(20)5-8-21-11-15)12-3-4-13(16-9-12)18-6-1-2-7-18/h1-4,6-7,9,20H,5,8,10-11H2,(H,17,19)
InChIKeyNBGRFNYOHJJTDU-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.47
Rot. Bonds4

About N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide

N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide (PubChem CID 111970532) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
PubChem CID111970532
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C15H17N3O2S/c19-14(17-10-15(20)5-8-21-11-15)12-3-4-13(16-9-12)18-6-1-2-7-18/h1-4,6-7,9,20H,5,8,10-11H2,(H,17,19)
InChIKeyNBGRFNYOHJJTDU-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxythiolan-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 111698305
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
CID 111597214
N-[(3-hydroxythiolan-3-yl)methyl]-5-methylpyridine-3-carboxamide
CID 111596832
N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111596930
N-[(3-hydroxythiolan-3-yl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 111597195
3-bromo-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111596827
4-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 111596850
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
CID 166208940
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
CID 111596999
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide (CID 111970532) is N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide is O=C(NCC1(O)CCSC1)c1ccc(-n2cccc2)nc1.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The InChIKey is NBGRFNYOHJJTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14(17-10-15(20)5-8-21-11-15)12-3-4-13(16-9-12)18-6-1-2-7-18/h1-4,6-7,9,20H,5,8,10-11H2,(H,17,19).
What are the key properties of N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111970532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).