5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

C17H14F2N4O — CID 97052488

IUPAC5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)nc1
InChIInChI=1S/C17H14F2N4O/c18-13-2-1-3-14(19)16(13)23-7-6-12(10-23)22-17(24)15-5-4-11(8-20)9-21-15/h1-5,9,12H,6-7,10H2,(H,22,24)/t12-/m0/s1
InChIKeyMNJXQZRBDWNNMO-LBPRGKRZSA-N
MW328.32 g/mol
LogP2.24
Rot. Bonds3

About 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide

5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 97052488) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID97052488
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)nc1
InChIInChI=1S/C17H14F2N4O/c18-13-2-1-3-14(19)16(13)23-7-6-12(10-23)22-17(24)15-5-4-11(8-20)9-21-15/h1-5,9,12H,6-7,10H2,(H,22,24)/t12-/m0/s1
InChIKeyMNJXQZRBDWNNMO-LBPRGKRZSA-N
XLogP2.24
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide (CID 97052488) is 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)nc1.
What is the InChIKey of 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is MNJXQZRBDWNNMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-13-2-1-3-14(19)16(13)23-7-6-12(10-23)22-17(24)15-5-4-11(8-20)9-21-15/h1-5,9,12H,6-7,10H2,(H,22,24)/t12-/m0/s1.
What are the key properties of 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97052488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).