N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide

C30H34F4N4O3 — CID 169223304

IUPACN-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CC2c1cccnc1
InChIInChI=1S/C30H34F4N4O3/c1-18(2)25(36-26(39)22-14-21(30(32,33)34)7-8-24(22)31)27(40)37-12-9-29(10-13-37)23(20-4-3-11-35-15-20)17-38(28(29)41)16-19-5-6-19/h3-4,7-8,11,14-15,18-19,23,25H,5-6,9-10,12-13,16-17H2,1-2H3,(H,36,39)/t23?,25-/m1/s1
InChIKeyHNIQQXWBHXWKBX-XSWBTSGESA-N
MW574.62 g/mol
LogP4.64
Rot. Bonds7

About N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide

N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 169223304) has the molecular formula C30H34F4N4O3 and a molecular weight of 574.62 g/mol. Its IUPAC name is N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID169223304
Molecular FormulaC30H34F4N4O3
Molecular Weight574.62 g/mol
Exact Mass574.26
IUPAC NameN-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CC2c1cccnc1
InChIInChI=1S/C30H34F4N4O3/c1-18(2)25(36-26(39)22-14-21(30(32,33)34)7-8-24(22)31)27(40)37-12-9-29(10-13-37)23(20-4-3-11-35-15-20)17-38(28(29)41)16-19-5-6-19/h3-4,7-8,11,14-15,18-19,23,25H,5-6,9-10,12-13,16-17H2,1-2H3,(H,36,39)/t23?,25-/m1/s1
InChIKeyHNIQQXWBHXWKBX-XSWBTSGESA-N
XLogP4.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Tc-6987
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(4R,5R)-5-amino-1-[2-(pyridin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
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N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
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N-{1-[(6-Fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-ylcarbamoyl)-methyl]-piperidin-4-yl}-benzamide
CID 9892202
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide (CID 169223304) is N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide is CC(C)[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CC2c1cccnc1.
What is the InChIKey of N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is HNIQQXWBHXWKBX-XSWBTSGESA-N. The full InChI is InChI=1S/C30H34F4N4O3/c1-18(2)25(36-26(39)22-14-21(30(32,33)34)7-8-24(22)31)27(40)37-12-9-29(10-13-37)23(20-4-3-11-35-15-20)17-38(28(29)41)16-19-5-6-19/h3-4,7-8,11,14-15,18-19,23,25H,5-6,9-10,12-13,16-17H2,1-2H3,(H,36,39)/t23?,25-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide?
N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 574.62 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(cyclopropylmethyl)-1-oxo-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 169223304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).