N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide

C16H19N3O4S — CID 140582840

IUPACN-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1ccnc(S(=O)(=O)CCCO)c1
InChIInChI=1S/C16H19N3O4S/c1-12(19-16(21)13-3-6-17-7-4-13)14-5-8-18-15(11-14)24(22,23)10-2-9-20/h3-8,11-12,20H,2,9-10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyGGKPYFXYRUTYCG-LBPRGKRZSA-N
MW349.41 g/mol
LogP1.12
Rot. Bonds7

About N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide

N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 140582840) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide
PubChem CID140582840
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1ccnc(S(=O)(=O)CCCO)c1
InChIInChI=1S/C16H19N3O4S/c1-12(19-16(21)13-3-6-17-7-4-13)14-5-8-18-15(11-14)24(22,23)10-2-9-20/h3-8,11-12,20H,2,9-10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyGGKPYFXYRUTYCG-LBPRGKRZSA-N
XLogP1.12
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-ethylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582653
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582708
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582673
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
CID 140582644
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27232734
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide (CID 140582840) is N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1)c1ccnc(S(=O)(=O)CCCO)c1.
What is the InChIKey of N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is GGKPYFXYRUTYCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12(19-16(21)13-3-6-17-7-4-13)14-5-8-18-15(11-14)24(22,23)10-2-9-20/h3-8,11-12,20H,2,9-10H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide?
N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).