4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide

C16H16F2N4O — CID 75478044

IUPAC4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NC1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H16F2N4O/c17-10-1-2-15(13(18)7-10)22-6-4-11(9-22)21-14-3-5-20-8-12(14)16(19)23/h1-3,5,7-8,11H,4,6,9H2,(H2,19,23)(H,20,21)
InChIKeyZBWNLIIOEYYERC-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.15
Rot. Bonds4

About 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide

4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 75478044) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID75478044
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NC1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C16H16F2N4O/c17-10-1-2-15(13(18)7-10)22-6-4-11(9-22)21-14-3-5-20-8-12(14)16(19)23/h1-3,5,7-8,11H,4,6,9H2,(H2,19,23)(H,20,21)
InChIKeyZBWNLIIOEYYERC-UHFFFAOYSA-N
XLogP2.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide (CID 75478044) is 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide is NC(=O)c1cnccc1NC1CCN(c2ccc(F)cc2F)C1.
What is the InChIKey of 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is ZBWNLIIOEYYERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-10-1-2-15(13(18)7-10)22-6-4-11(9-22)21-14-3-5-20-8-12(14)16(19)23/h1-3,5,7-8,11H,4,6,9H2,(H2,19,23)(H,20,21).
What are the key properties of 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 75478044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).