2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride

C30H29ClF6N6O3 — CID 158193263

IUPAC2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride
SMILESCl.NC(=O)CNCc1cc(-c2ccc(C(F)(F)F)cc2)ccn1.NCC(N)=O.O=Cc1cc(-c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C15H14F3N3O.C13H8F3NO.C2H6N2O.ClH/c16-15(17,18)12-3-1-10(2-4-12)11-5-6-21-13(7-11)8-20-9-14(19)22;14-13(15,16)11-3-1-9(2-4-11)10-5-6-17-12(7-10)8-18;3-1-2(4)5;/h1-7,20H,8-9H2,(H2,19,22);1-8H;1,3H2,(H2,4,5);1H
InChIKeyRXUVJJFVCORGLF-UHFFFAOYSA-N
MW671.04 g/mol
LogP4.77
Rot. Bonds8

About 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride

2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride (PubChem CID 158193263) has the molecular formula C30H29ClF6N6O3 and a molecular weight of 671.04 g/mol. Its IUPAC name is 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride.

Molecular Properties

Compound Name2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride
PubChem CID158193263
Molecular FormulaC30H29ClF6N6O3
Molecular Weight671.04 g/mol
Exact Mass670.19
IUPAC Name2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride
SMILESCl.NC(=O)CNCc1cc(-c2ccc(C(F)(F)F)cc2)ccn1.NCC(N)=O.O=Cc1cc(-c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C15H14F3N3O.C13H8F3NO.C2H6N2O.ClH/c16-15(17,18)12-3-1-10(2-4-12)11-5-6-21-13(7-11)8-20-9-14(19)22;14-13(15,16)11-3-1-9(2-4-11)10-5-6-17-12(7-10)8-18;3-1-2(4)5;/h1-7,20H,8-9H2,(H2,19,22);1-8H;1,3H2,(H2,4,5);1H
InChIKeyRXUVJJFVCORGLF-UHFFFAOYSA-N
XLogP4.77
TPSA167.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.04
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
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N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
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CID 68187480
7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(R)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10650263
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Cathepsin Inhibitor, Column 2 Row 1
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Cathepsin Inhibitor, Column 2 Row 2
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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride?
The IUPAC name of 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride (CID 158193263) is 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride.
What is the SMILES notation for 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride?
The canonical SMILES for 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride is Cl.NC(=O)CNCc1cc(-c2ccc(C(F)(F)F)cc2)ccn1.NCC(N)=O.O=Cc1cc(-c2ccc(C(F)(F)F)cc2)ccn1.
What is the InChIKey of 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride?
The InChIKey is RXUVJJFVCORGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O.C13H8F3NO.C2H6N2O.ClH/c16-15(17,18)12-3-1-10(2-4-12)11-5-6-21-13(7-11)8-20-9-14(19)22;14-13(15,16)11-3-1-9(2-4-11)10-5-6-17-12(7-10)8-18;3-1-2(4)5;/h1-7,20H,8-9H2,(H2,19,22);1-8H;1,3H2,(H2,4,5);1H.
What are the key properties of 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride?
2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride has a molecular weight of 671.04 g/mol, XLogP of 4.77, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;2-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]acetamide;hydrochloride is sourced from PubChem (CID 158193263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).