N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide

C16H18N4O3S — CID 120945879

IUPACN-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCC1CNCC1O)c1ccncc1
InChIInChI=1S/C16H18N4O3S/c21-13-9-18-7-11(13)8-19-16(23)14-12(3-6-24-14)20-15(22)10-1-4-17-5-2-10/h1-6,11,13,18,21H,7-9H2,(H,19,23)(H,20,22)
InChIKeyBHSFONBPCBWJHN-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.71
Rot. Bonds5

About N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide

N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 120945879) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
PubChem CID120945879
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCC1CNCC1O)c1ccncc1
InChIInChI=1S/C16H18N4O3S/c21-13-9-18-7-11(13)8-19-16(23)14-12(3-6-24-14)20-15(22)10-1-4-17-5-2-10/h1-6,11,13,18,21H,7-9H2,(H,19,23)(H,20,22)
InChIKeyBHSFONBPCBWJHN-UHFFFAOYSA-N
XLogP0.71
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide (CID 120945879) is N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide is O=C(Nc1ccsc1C(=O)NCC1CNCC1O)c1ccncc1.
What is the InChIKey of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is BHSFONBPCBWJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-13-9-18-7-11(13)8-19-16(23)14-12(3-6-24-14)20-15(22)10-1-4-17-5-2-10/h1-6,11,13,18,21H,7-9H2,(H,19,23)(H,20,22).
What are the key properties of N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 120945879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).