N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide

C24H30F3N5O2 — CID 90942621

IUPACN-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)NC(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)nc1)N1CCCCC1
InChIInChI=1S/C24H30F3N5O2/c1-16(32-10-3-2-4-11-32)22(33)31-20(13-17-6-5-7-19(12-17)24(25,26)27)23(34)30-15-18-8-9-21(28)29-14-18/h5-9,12,14,16,20H,2-4,10-11,13,15H2,1H3,(H2,28,29)(H,30,34)(H,31,33)/t16-,20?/m0/s1
InChIKeyJMKANXYCVIQHAR-DJZRFWRSSA-N
MW477.53 g/mol
LogP2.90
Rot. Bonds8

About N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide

N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 90942621) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID90942621
Molecular FormulaC24H30F3N5O2
Molecular Weight477.53 g/mol
Exact Mass477.24
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)NC(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)nc1)N1CCCCC1
InChIInChI=1S/C24H30F3N5O2/c1-16(32-10-3-2-4-11-32)22(33)31-20(13-17-6-5-7-19(12-17)24(25,26)27)23(34)30-15-18-8-9-21(28)29-14-18/h5-9,12,14,16,20H,2-4,10-11,13,15H2,1H3,(H2,28,29)(H,30,34)(H,31,33)/t16-,20?/m0/s1
InChIKeyJMKANXYCVIQHAR-DJZRFWRSSA-N
XLogP2.90
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxo-3-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamoyl]-4-methyl-1H-pyrrole-2-carboxylic acid
CID 67030098
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]-2-(dimethylamino)-3-methylpentanamide
CID 67029722
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-propan-2-ylpyrrolidine-2-carboxamide
CID 91450594
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
CID 67207201
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[2-(methylamino)propanoylamino]propanamide
CID 68529085
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[[(2S)-2-[di(propan-2-yl)amino]propanoyl]amino]propanamide
CID 68529385
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanamide
CID 67029540
(2S)-N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-[di(propan-2-yl)amino]propanoyl]amino]-3-(4-fluorophenyl)propanamide
CID 68529276
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-hydroxy-4-phenylbutanamide
CID 52916947
(2S)-N-[(6-amino-3-pyridinyl)methyl]-2-[2-[butyl(methyl)amino]propanoylamino]-3-(3,4-difluorophenyl)propanamide
CID 68526005
(2S)-N-[(6-amino-3-pyridinyl)methyl]-2-[2-[ethyl(methyl)amino]propanoylamino]-3-(4-fluorophenyl)propanamide
CID 68527497
N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 123411994

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 90942621) is N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide is C[C@@H](C(=O)NC(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)nc1)N1CCCCC1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JMKANXYCVIQHAR-DJZRFWRSSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-16(32-10-3-2-4-11-32)22(33)31-20(13-17-6-5-7-19(12-17)24(25,26)27)23(34)30-15-18-8-9-21(28)29-14-18/h5-9,12,14,16,20H,2-4,10-11,13,15H2,1H3,(H2,28,29)(H,30,34)(H,31,33)/t16-,20?/m0/s1.
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide?
N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 477.53 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 90942621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).