2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide

C29H32F3N5O2 — CID 71026003

IUPAC2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1=CCC(C2CCN(C(=O)CCc3cccnc3)CC2)=N1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)22-6-9-26(36-14-1-2-15-36)25(18-22)35-28(39)24-8-7-23(34-24)21-11-16-37(17-12-21)27(38)10-5-20-4-3-13-33-19-20/h3-4,6,8-9,13,18-19,21H,1-2,5,7,10-12,14-17H2,(H,35,39)
InChIKeyMNZKZNJAURUNCI-UHFFFAOYSA-N
MW539.60 g/mol
LogP5.24
Rot. Bonds7

About 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide

2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide (PubChem CID 71026003) has the molecular formula C29H32F3N5O2 and a molecular weight of 539.60 g/mol. Its IUPAC name is 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide
PubChem CID71026003
Molecular FormulaC29H32F3N5O2
Molecular Weight539.60 g/mol
Exact Mass539.25
IUPAC Name2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1=CCC(C2CCN(C(=O)CCc3cccnc3)CC2)=N1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)22-6-9-26(36-14-1-2-15-36)25(18-22)35-28(39)24-8-7-23(34-24)21-11-16-37(17-12-21)27(38)10-5-20-4-3-13-33-19-20/h3-4,6,8-9,13,18-19,21H,1-2,5,7,10-12,14-17H2,(H,35,39)
InChIKeyMNZKZNJAURUNCI-UHFFFAOYSA-N
XLogP5.24
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59208978
methyl 4-oxo-4-[4-[4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]butanoate
CID 59208943
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
2-[1-[3-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91177516
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71026093
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
4-(cyclopropanecarbonyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 47032802
2-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209872
2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide?
The IUPAC name of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide (CID 71026003) is 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide.
What is the SMILES notation for 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide?
The canonical SMILES for 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1=CCC(C2CCN(C(=O)CCc3cccnc3)CC2)=N1.
What is the InChIKey of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide?
The InChIKey is MNZKZNJAURUNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O2/c30-29(31,32)22-6-9-26(36-14-1-2-15-36)25(18-22)35-28(39)24-8-7-23(34-24)21-11-16-37(17-12-21)27(38)10-5-20-4-3-13-33-19-20/h3-4,6,8-9,13,18-19,21H,1-2,5,7,10-12,14-17H2,(H,35,39).
What are the key properties of 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide?
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide has a molecular weight of 539.60 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 71026003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).