N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide

C30H30F3N5O2 — CID 42628954

IUPACN-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cn3)C2)cc1
InChIInChI=1S/C30H30F3N5O2/c31-30(32,33)23-5-7-25(8-6-23)38-15-12-26(13-16-38)40-27-9-10-28(35-18-27)29(39)36-24-11-14-37(20-24)19-22-3-1-21(17-34)2-4-22/h1-10,18,24,26H,11-16,19-20H2,(H,36,39)/t24-/m1/s1
InChIKeyDYNQHYZVJIFFCV-XMMPIXPASA-N
MW549.60 g/mol
LogP5.02
Rot. Bonds7

About N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide

N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 42628954) has the molecular formula C30H30F3N5O2 and a molecular weight of 549.60 g/mol. Its IUPAC name is N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID42628954
Molecular FormulaC30H30F3N5O2
Molecular Weight549.60 g/mol
Exact Mass549.24
IUPAC NameN-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESN#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cn3)C2)cc1
InChIInChI=1S/C30H30F3N5O2/c31-30(32,33)23-5-7-25(8-6-23)38-15-12-26(13-16-38)40-27-9-10-28(35-18-27)29(39)36-24-11-14-37(20-24)19-22-3-1-21(17-34)2-4-22/h1-10,18,24,26H,11-16,19-20H2,(H,36,39)/t24-/m1/s1
InChIKeyDYNQHYZVJIFFCV-XMMPIXPASA-N
XLogP5.02
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 42628954) is N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cn3)C2)cc1.
What is the InChIKey of N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is DYNQHYZVJIFFCV-XMMPIXPASA-N. The full InChI is InChI=1S/C30H30F3N5O2/c31-30(32,33)23-5-7-25(8-6-23)38-15-12-26(13-16-38)40-27-9-10-28(35-18-27)29(39)36-24-11-14-37(20-24)19-22-3-1-21(17-34)2-4-22/h1-10,18,24,26H,11-16,19-20H2,(H,36,39)/t24-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide?
N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 549.60 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 42628954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).