N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C26H24ClF4N5O — CID 146371158

IUPACN-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)cc3C(F)(F)F)n2)ncc1Cl
InChIInChI=1S/C26H24ClF4N5O/c1-14-8-21(33-13-20(14)27)15(2)35-25(37)23-10-16(12-34-24-4-3-7-32-24)9-22(36-23)18-6-5-17(28)11-19(18)26(29,30)31/h5-6,8-11,13,15H,3-4,7,12H2,1-2H3,(H,32,34)(H,35,37)
InChIKeyUTGNODDDCMEOQZ-UHFFFAOYSA-N
MW533.96 g/mol
LogP6.04
Rot. Bonds6

About N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 146371158) has the molecular formula C26H24ClF4N5O and a molecular weight of 533.96 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID146371158
Molecular FormulaC26H24ClF4N5O
Molecular Weight533.96 g/mol
Exact Mass533.16
IUPAC NameN-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)cc3C(F)(F)F)n2)ncc1Cl
InChIInChI=1S/C26H24ClF4N5O/c1-14-8-21(33-13-20(14)27)15(2)35-25(37)23-10-16(12-34-24-4-3-7-32-24)9-22(36-23)18-6-5-17(28)11-19(18)26(29,30)31/h5-6,8-11,13,15H,3-4,7,12H2,1-2H3,(H,32,34)(H,35,37)
InChIKeyUTGNODDDCMEOQZ-UHFFFAOYSA-N
XLogP6.04
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.96
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 146371158) is N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Cc1cc(C(C)NC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)cc3C(F)(F)F)n2)ncc1Cl.
What is the InChIKey of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is UTGNODDDCMEOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF4N5O/c1-14-8-21(33-13-20(14)27)15(2)35-25(37)23-10-16(12-34-24-4-3-7-32-24)9-22(36-23)18-6-5-17(28)11-19(18)26(29,30)31/h5-6,8-11,13,15H,3-4,7,12H2,1-2H3,(H,32,34)(H,35,37).
What are the key properties of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 533.96 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 146371158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).