6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide

C18H19N3O2 — CID 145006148

IUPAC6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)cn1
InChIInChI=1S/C18H19N3O2/c1-11-2-3-13(9-19-11)18(22)21-14-6-4-12(5-7-14)17-16-8-15(23-17)10-20-16/h2-7,9,15-17,20H,8,10H2,1H3,(H,21,22)/t15-,16-,17+/m1/s1
InChIKeyCSNYASMGVAUTOP-ZACQAIPSSA-N
MW309.37 g/mol
LogP2.44
Rot. Bonds3

About 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide

6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 145006148) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID145006148
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)cn1
InChIInChI=1S/C18H19N3O2/c1-11-2-3-13(9-19-11)18(22)21-14-6-4-12(5-7-14)17-16-8-15(23-17)10-20-16/h2-7,9,15-17,20H,8,10H2,1H3,(H,21,22)/t15-,16-,17+/m1/s1
InChIKeyCSNYASMGVAUTOP-ZACQAIPSSA-N
XLogP2.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide
CID 118700342
4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 118695720
6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 162200597
4-chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide;4-(cyclopropylmethoxy)-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 158610430
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
2-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 158279010
6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
CID 76758483
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide (CID 145006148) is 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)cn1.
What is the InChIKey of 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is CSNYASMGVAUTOP-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-2-3-13(9-19-11)18(22)21-14-6-4-12(5-7-14)17-16-8-15(23-17)10-20-16/h2-7,9,15-17,20H,8,10H2,1H3,(H,21,22)/t15-,16-,17+/m1/s1.
What are the key properties of 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide?
6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 145006148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).