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N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C17H21N3O2S — CID 156610649

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccsc1CN1CC(NC(=O)c2cccnc2)CC1CO
InChIInChI=1S/C17H21N3O2S/c1-12-4-6-23-16(12)10-20-9-14(7-15(20)11-21)19-17(22)13-3-2-5-18-8-13/h2-6,8,14-15,21H,7,9-11H2,1H3,(H,19,22)
InChIKeyOWCNZYPEWLJGCB-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.82
Rot. Bonds5

About N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 156610649) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID156610649
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccsc1CN1CC(NC(=O)c2cccnc2)CC1CO
InChIInChI=1S/C17H21N3O2S/c1-12-4-6-23-16(12)10-20-9-14(7-15(20)11-21)19-17(22)13-3-2-5-18-8-13/h2-6,8,14-15,21H,7,9-11H2,1H3,(H,19,22)
InChIKeyOWCNZYPEWLJGCB-UHFFFAOYSA-N
XLogP1.82
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 156610649) is N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is Cc1ccsc1CN1CC(NC(=O)c2cccnc2)CC1CO.
What is the InChIKey of N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is OWCNZYPEWLJGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-4-6-23-16(12)10-20-9-14(7-15(20)11-21)19-17(22)13-3-2-5-18-8-13/h2-6,8,14-15,21H,7,9-11H2,1H3,(H,19,22).
What are the key properties of N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156610649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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