N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C17H19N5O4S — CID 137032504

IUPACN-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)C2=CN/C(=N/CCO)CC2)c1)c1ccccn1
InChIInChI=1S/C17H19N5O4S/c23-10-8-19-16-5-4-14(11-20-16)27(25,26)22-9-6-13(12-22)21-17(24)15-3-1-2-7-18-15/h1-3,6-7,9,11-12,23H,4-5,8,10H2,(H,19,20)(H,21,24)
InChIKeyYHVYISZMPNKGDU-UHFFFAOYSA-N
MW389.44 g/mol
LogP0.93
Rot. Bonds6

About N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 137032504) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID137032504
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)C2=CN/C(=N/CCO)CC2)c1)c1ccccn1
InChIInChI=1S/C17H19N5O4S/c23-10-8-19-16-5-4-14(11-20-16)27(25,26)22-9-6-13(12-22)21-17(24)15-3-1-2-7-18-15/h1-3,6-7,9,11-12,23H,4-5,8,10H2,(H,19,20)(H,21,24)
InChIKeyYHVYISZMPNKGDU-UHFFFAOYSA-N
XLogP0.93
TPSA125.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914544
N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914667
ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate
CID 73058476
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
N-[1-(furan-2-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 52935837
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 9469996
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53168052
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 71260417
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53167977

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 137032504) is N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)C2=CN/C(=N/CCO)CC2)c1)c1ccccn1.
What is the InChIKey of N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is YHVYISZMPNKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c23-10-8-19-16-5-4-14(11-20-16)27(25,26)22-9-6-13(12-22)21-17(24)15-3-1-2-7-18-15/h1-3,6-7,9,11-12,23H,4-5,8,10H2,(H,19,20)(H,21,24).
What are the key properties of N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 137032504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).