N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide

C18H19F3N6O2 — CID 162559235

IUPACN-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C[C@@H](CN(c4cc(C(F)(F)F)ccn4)C3)C2)nc1
InChIInChI=1S/C18H19F3N6O2/c19-18(20,21)14-1-2-22-15(4-14)26-7-11-3-12(8-26)10-27(9-11)17-23-5-13(6-24-17)16(28)25-29/h1-2,4-6,11-12,29H,3,7-10H2,(H,25,28)/t11-,12?/m0/s1
InChIKeyFFZYVHMPOALQKS-PXYINDEMSA-N
MW408.38 g/mol
LogP1.97
Rot. Bonds3

About N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide (PubChem CID 162559235) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide
PubChem CID162559235
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC NameN-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C[C@@H](CN(c4cc(C(F)(F)F)ccn4)C3)C2)nc1
InChIInChI=1S/C18H19F3N6O2/c19-18(20,21)14-1-2-22-15(4-14)26-7-11-3-12(8-26)10-27(9-11)17-23-5-13(6-24-17)16(28)25-29/h1-2,4-6,11-12,29H,3,7-10H2,(H,25,28)/t11-,12?/m0/s1
InChIKeyFFZYVHMPOALQKS-PXYINDEMSA-N
XLogP1.97
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-1,4-dihydropyrimidine-5-carboxamide
CID 88865618
2-[(1S)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidine-5-carboxylic acid
CID 70253893
N-hydroxy-4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 59783648
N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 59783770
2-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58845105
(1S,5R)-9-methyl-7-[4-(trifluoromethyl)-2-pyridinyl]-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135094804
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 129171739
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071
4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
3-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonane-1-carboxylic acid
CID 91018251

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide (CID 162559235) is N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CC3C[C@@H](CN(c4cc(C(F)(F)F)ccn4)C3)C2)nc1.
What is the InChIKey of N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is FFZYVHMPOALQKS-PXYINDEMSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c19-18(20,21)14-1-2-22-15(4-14)26-7-11-3-12(8-26)10-27(9-11)17-23-5-13(6-24-17)16(28)25-29/h1-2,4-6,11-12,29H,3,7-10H2,(H,25,28)/t11-,12?/m0/s1.
What are the key properties of N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162559235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).