N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide

C19H16F3N5O2 — CID 163371556

IUPACN-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide
SMILESN#Cc1cnc(NC(=O)CN(CC2CC2)C(=O)c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)15-5-3-14(4-6-15)17(29)27(10-12-1-2-12)11-16(28)26-18-24-8-13(7-23)9-25-18/h3-6,8-9,12H,1-2,10-11H2,(H,24,25,26,28)
InChIKeyHJJXRKBLQKAMGH-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide

N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 163371556) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID163371556
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC NameN-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide
SMILESN#Cc1cnc(NC(=O)CN(CC2CC2)C(=O)c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)15-5-3-14(4-6-15)17(29)27(10-12-1-2-12)11-16(28)26-18-24-8-13(7-23)9-25-18/h3-6,8-9,12H,1-2,10-11H2,(H,24,25,26,28)
InChIKeyHJJXRKBLQKAMGH-UHFFFAOYSA-N
XLogP2.86
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 43655198
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 7327164
N-[2-[(5-chloropyrimidin-2-yl)amino]-2-oxoethyl]-3-fluoro-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]-4-(trifluoromethyl)benzamide;ethane
CID 169212138
4-cyclopropyl-N-[(2,2-difluorocyclopropyl)methyl]-N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]benzamide
CID 169212389
4-bromo-N-[[(2R)-2-fluorocyclopropyl]methyl]-N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]benzamide;ethane
CID 166106443
cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 172622928
4-bromo-N-[[(2R)-2-fluoro-3-methylcyclopropyl]methyl]-N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]benzamide
CID 166106229
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42769078
1-(cyclopropylmethyl)-1-prop-2-ynyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115556866
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 814489
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide (CID 163371556) is N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide is N#Cc1cnc(NC(=O)CN(CC2CC2)C(=O)c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is HJJXRKBLQKAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)15-5-3-14(4-6-15)17(29)27(10-12-1-2-12)11-16(28)26-18-24-8-13(7-23)9-25-18/h3-6,8-9,12H,1-2,10-11H2,(H,24,25,26,28).
What are the key properties of N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide?
N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 403.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 163371556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).