N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide

C15H16F2N4O2 — CID 170610855

IUPACN-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@H]2COCCC2(F)F)nc(-n2ccnc2)c1
InChIInChI=1S/C15H16F2N4O2/c1-10-6-11(19-13(7-10)21-4-3-18-9-21)14(22)20-12-8-23-5-2-15(12,16)17/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyQZZBOUIFCQZNEL-LBPRGKRZSA-N
MW322.31 g/mol
LogP1.73
Rot. Bonds3

About N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide

N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide (PubChem CID 170610855) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
PubChem CID170610855
Molecular FormulaC15H16F2N4O2
Molecular Weight322.31 g/mol
Exact Mass322.12
IUPAC NameN-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@H]2COCCC2(F)F)nc(-n2ccnc2)c1
InChIInChI=1S/C15H16F2N4O2/c1-10-6-11(19-13(7-10)21-4-3-18-9-21)14(22)20-12-8-23-5-2-15(12,16)17/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyQZZBOUIFCQZNEL-LBPRGKRZSA-N
XLogP1.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
6-imidazol-1-yl-4-methyl-N-[(3R)-2-oxopiperidin-3-yl]pyridine-2-carboxamide
CID 170610802
6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 170610880
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610820
6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610864
N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
CID 100644801
6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 166481063
6-imidazol-1-yl-N-propan-2-ylpyrazine-2-carboxamide
CID 166095150
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
CID 99819921
6-imidazol-1-yl-N-(3-methoxycyclopentyl)pyridine-2-carboxamide
CID 166481672

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide (CID 170610855) is N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide is Cc1cc(C(=O)N[C@H]2COCCC2(F)F)nc(-n2ccnc2)c1.
What is the InChIKey of N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The InChIKey is QZZBOUIFCQZNEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-10-6-11(19-13(7-10)21-4-3-18-9-21)14(22)20-12-8-23-5-2-15(12,16)17/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 170610855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).