N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide

C16H19N3O3S — CID 140582673

IUPACN-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1ccncc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-4-14(19-16(20)12-5-8-17-9-6-12)13-7-10-18-15(11-13)23(2,21)22/h5-11,14H,3-4H2,1-2H3,(H,19,20)
InChIKeyDRKUONLZGDGZBB-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.15
Rot. Bonds6

About N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide

N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide (PubChem CID 140582673) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
PubChem CID140582673
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1ccncc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-3-4-14(19-16(20)12-5-8-17-9-6-12)13-7-10-18-15(11-13)23(2,21)22/h5-11,14H,3-4H2,1-2H3,(H,19,20)
InChIKeyDRKUONLZGDGZBB-UHFFFAOYSA-N
XLogP2.15
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide (CID 140582673) is N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide is CCCC(NC(=O)c1ccncc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
The InChIKey is DRKUONLZGDGZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-4-14(19-16(20)12-5-8-17-9-6-12)13-7-10-18-15(11-13)23(2,21)22/h5-11,14H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide?
N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).